research communications
S)-1-O-tert-butyldiphenylsilylglycerol: eight chiral molecules in a triclinic cell
of (aDepartamento de Química, Universidade Federal Rural de Pernambuco, 52171-900 Recife, PE, Brazil, bChemistry Department, State University of New York, College at Buffalo, 1300 Elmwood Ave, Buffalo, NY 14222-1095, USA, cDepartment of Chemistry, University of Manitoba, Winnipeg, MB R3T 2N2, Canada, and dDepartamento de Farmácia, Universidade Federal do Rio Grande do Norte, 59010-180, Natal, RN, Brazil
*Correspondence e-mail: nazareay@buffalostate.edu
The tert-butyldiphenylsilyl)oxy]propane-1,2-diol, C19H26O3Si}, contains eight chiral molecules (Z′ = 8). These molecules are connected via a complex system of hydrogen bonds into an infinite assembly along the [100] axis; hydrophobic tert-butyl and phenyl groups form an external coating of the assembly. These assemblies are packed by weak intermolecular interactions in a peculiar formation resembling a `header bond' masonry brick wall. Disorder of flexible fragments increases with temperature but the same exists from 120 to 220 K (and most probably to the melting point at 334 K).
of the title compound {systematic name: 3-[(1. Chemical context
Glycerol et al., 2010). A common characteristic feature of both GNA and FNA is the presence of an acyclic three-carbon unit containing a stereogenic center, which gives rise to both possible configurations (R) and (S). Some nucleoside derivatives containing an acyclic appendix (instead of a ribose or 2-deoxyribose moiety) are very active antiviral agents: Acyclovir, Adefovir, Ganciclovir, Penciclovir, Tenofovir or Cidofovir. For the latter two compounds, this appendix has three carbon atoms and can be built up from chiral glycerol. Guaifenesin [3-(2-methoxyphenoxy)propane-1,2-diol], a common expectorant medication, is another example of a substituted chiral glycerol. A simple and stereospecific method to obtain 1-O-substituted glycerols with a predetermined configuration based on 5-O-substituted D- and L-arabinose was realized (Doboszewski & Herdewijn, 2011) and further expanded by application of 6-O-substituted D-glucopyranose and D-galactopyranose as presented in this paper.
(or glycol GNA) and flexible (FNA) are two groups of unnatural polymers that have received attention as possible precursors of the present DNA/RNA-based life (ZhangA scattered 1-O-substituted glycerol, (S)-1-O-tert-butyldiphenylsilylglycerol, the title compound of this paper, together with its enantiomer, has been used for the research in the field of glycerol (Doboszewski et al., 2013), in the field of iso-glycerol (Kim et al., 2014), and to obtain the derivatives displaying β-adrenergic activity (Leftheris & Goodman, 1990). Here we report the X-ray structure of (S)-1-O-tert-butyldiphenylsilylglycerol obtained from 5-O-tert-butyldiphenylsilyl-D-glucopyranose (Tsutsui et al. 2014) or 5-O-tert-butyldiphenylsilyl-D-galactopyranose (Doboszewski & Herdewijn, 2012).
2. Structural commentary
The initial Z = 8 and multiple disordered fragments. Similar structures often have an inappropriate space-group designation (Marsh, 1999, 2005). There is also the possibility of multiple polymorphs existing at different temperatures (Desiraju, 2007). To reduce the possibility of an erroneous determination of unit-cell parameters or overlooked higher symmetry and to look at this structure at lower temperatures, the experiment was repeated at 123 K and at 173 K using different diffractometer types. Preliminary, low-quality data were also obtained at 220 K (full data not included here). The results were consistent for all three measurements.
determination had been performed at 220 K and revealed a complex chiral triclinic structure withData obtained for 123 K (data set 1) show the lowest degree of disorder and a lower uncertainty of all parameters of the
further discussion thus deals mainly with this dataset.There are eight independent molecules of the title compound in a P1 (Figs. 1–8). Both the bond distances and angles of all moieties are unexceptional and consistent with standard values. As a result of the relatively long Si—C bond, there is little hindrance for rotation of the phenyl and tert-butyl groups in the tert-butyldiphenylsilyl fragments. This results in higher vibrational ellipsoids for the methyl groups and for some of the phenyl groups; in molecule 7, there are two visibly disordered phenyl rings (Fig. 7). Flexible glycerol fragments can occupy different positions. In two cases, this disorder was substantial and the fragments were refined as disordered (Figs. 6 and 8). Disorder of all groups visibly increases with temperature: for example, the occupancy of the minor component of the glycerol moiety in molecule 8 is 0.12 at 123 K, 0.29 at 173 K and 0.37 at 220 K; for molecule 6 it is 0.22 at 123 K, 0.36 at 173 K and 0.46 at 220 K. Several tert-butyl and phenyl groups are also becoming disordered at 220 K.
inThe eight molecules form an assembly with the hydrophobic phenyl and butyl groups making an external `coat' and the hydrophilic chiral glycerol moieties forming the inner core of the ). There is visible [see Zorky (1996) for the definition and discussion of this phenomenon] in this assembly. The triclinic system allows only an inversion centre as a however, it is prohibited by in this case. Nevertheless, when the chiral glycerol groups are excluded from consideration, the whole structure becomes close to centrosymmetric: an overlay of two paired molecules is shown in Fig. 10. An attempt to overlay all tert-butyldiphenylsilyl moieties (Fig. 11) reveals a relatively good fit for the tert-butyl groups and one of the phenyl groups; interestingly, almost is observed for the second phenyl group.
(Fig. 93. Supramolecular features
Each of the eight molecules has two hydroxyl groups; each of them can be both a donor and an acceptor of a strong O—H⋯O hydrogen bond (Gilli & Gilli, 2013). Indeed, fifteen such bonds are observed (Tables 1 and 2, Fig. 12). One weaker hydrogen bond (O14—H14G⋯O13) connects a hydroxyl group to a neighbouring ether oxygen atom. The whole system is additionally stabilized by weaker C—H⋯O interactions (two of them are shown in Tables 1 and 2). The hydroxyl groups of the disordered fragments mostly follow the same direction of hydrogen bonding. The independent molecules are bound by this complex system of hydrogen bonds, forming an infinite assembly (a `beam') along the [100] axis (analogous to a reinforced concrete beam in construction, with hydrogen bonding serving as the reinforcement, see Fig. 13). These beams have an almost rectangular (Figs. 9 and 14). They are packed in layers parallel to the (001) plane by weak intermolecular interactions with no hydrogen bonds or stacking. These layers are assembled in a peculiar fashion, resembling a `header bond' brick wall in masonry (Fig. 14). An ideal `brick wall' tiling belongs to the rectangular plane symmetry group c2mm (No. 9; see Hahn, 2006). In our case, it is distorted to an oblique p1. There are no strong contacts between the layers; more careful examination even shows some small voids between them. However, again following the masonry analogy, such packing should be relatively stable simply for mechanical reasons (similar to a `dry wall' with no mortar). The resulting three-dimensional crystal is stable despite multiple disorder inside the crystal cell.
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The self-assembly of the relatively simple title molecule into a complex infinite entity can serve as an illustration of the feasibility of glycerol-based assemblies in biochemical systems.
4. Database survey
There are 55 structures of substituted glycerol compounds deposited in the Cambridge Structural Database (CSD Version 5.39; Groom et al., 2016). Of these structures, two are glycerolphosphates; all others are organic compounds with a carbon atom connected to the terminal oxygen of the glycerol. Therefore, the current structure is the first silyl derivative of glycerol and the first non-carbon substituent neutral organic compound of that type. Two of the substituted glycerol structures [refcodes OKOXIW (Bredikhin et al. (2010) and WASHIJ (Bredikhin et al. (2008)] report the P1 and high Z′ (8 and 4, respectively). However, analysis of the corresponding files using the ADDSYM procedures of PLATON (Spek, 2009) suggests much higher symmetry and a smaller Z′: for OKOXIW the is I2 and Z′ = 4; for WASHIJ it is Iba2 and Z′ = 1. These examples demonstrate importance of additional caution while working with high Z′ numbers (Marsh, 1999). Most of these substituted glycerols are chiral compounds. of such compounds (guaifenesin and several similar molecules) was investigated by Bredikhin et al. (2009). Curiously, glycerol itself spontaneously crystallizes (Kusukawa et al., 2013) in a P212121.
The exact number of all known structures that crystallize in P1 with Z = 8 is ambiguous. Structures with large Z′ have been reviewed in detail by Steed & Steed (2015) and Brock (2016); databases of high-Z′ structures were created based on CSD data. A direct search of the CSD (CSD Version 5.39; Groom et al., 2016) yields 41 entries for P1, Z = 8. However, some of them are obvious typographical errors and several are unambiguously convertible to higher symmetry and consequently lower Z′. Most of the remaining (around 30) unambiguous structures are pseudocentrosymmetric, with an 80–95% fit for an exact centrosymmetric structure. Nevertheless, for a triclinic structure, the of the molecules serves as a solid proof of P1, similar to our structure.
There are numerous structures of silyl-substituted molecules similar to the title compound (e.g. there are 3874 structures with a diphenylsilicon moiety and 475 tert-butyldiphenylsilyl compounds). Of these, eight are compounds with high Z′, five of which are chiral. The triclinic centrosymmetric structure of tert-butyldiphenylsilanol (Habtemariam et al., 2015) shows Z = 8 (Z′ = 4); four independent molecules form a pseudotetragonal motif around four hydrogen bonds connecting the silanol groups in a fashion that remotely resembles the current structure. It was suggested by Prince et al. (2002) that weak interactions induce asymmetry in the crystal structures of triaryl derivatives of group 14 elements (Si, Ge, Sn), resulting in an abnormally large number of structures with high Z′.
5. Synthesis and crystallization
The title compound was prepared from 5-O-tert-butyldiphenylsilyl-D-glucopyranose (Tsutsui et al. 2014) or 5-O-tert-butyldiphenylsilyl-D-galactopyranose (Doboszewski & Herdewijn, 2012) using the procedure published before for 5-O-tert-butyldiphenylsilyl-D- or -L-arabinofuranose (Doboszewski & Herdewijn, 2011). To a solution of 5-O-tert-butyldiphenylsilyl-D-glucopyranose or 5-O-tert-butyldiphenylsilyl-D-galactopyranose (2.0 g, 5.1 mmol) in 96% ethanol, 20 mL, was added portionwise a solution of NaIO4 (3.8 g, 17.8 mmol) in water (15 mL) over a period of 10 min in a magnetically stirred ice bath. The solution became turbid within a few seconds. After the end of addition, the mixture was left at room temperature for 1.5 h. The white solid was removed by filtration (sintered glass) and the filtrate was cooled in an ice bath. NaBH4 (0.15 g, 4 mmol) was added with manual swirling. After 1h, the reaction mixture was transferred to a separatory funnel and extraction was performed (H2O–CH2Cl2). The organic phase was washed with water, dried (MgSO4) and the solids were removed by filtration. Vacuum evaporation at 303 K furnished a glassy material which was purified by on silica gel with hexane–ethyl acetate (6:5) to yield the title compound (1.03 g, 61%). Rf 0.48, m.p. 332–334 K (hexane–diethyl ether), αD −5.2 (c 6, dioxane). 1H NMR (CDCl3) and 13C NMR (CDCl3) are identical to published data (Doboszewski & Herdewijn, 2011). Exact mass (electrospray): calculated for [C19H26O3Si + Na]+ = 353.1549, found: 353.1540.
6. Refinement
Crystal data, data collection and structure . All C-bound hydrogen atoms were placed in calculated positions and treated as riding with Uiso(H) = 1.2Ueq(C) or 1.5Ueq(Cmethyl). The O-bound H atoms were refined as riding with O—H = 0.84 Å with Uiso(H) = 1.5Ueq(O).
details are summarized in Table 3
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The difference-Fourier map indicated possible disorder for the H atom of hydroxyl group O3 (Fig. 1). The occupancies of this disordered group were set to be equal to those of the neighboring disordered glycerol fragment of molecule 6. It was not possible to locate and refine a hydrogen atom of hydroxyl group O34 with occupancy of 0.13 at 123 K; its position was set as identical to that of H24 (Fig. 6). At 173 K, this atom was placed at a calculated position, which appeared to be very close to the previous assumption.
In a disordered phenyl group (atoms C121–C126 and C161-C166), the bond distances were restrained to make the geometry of both rings similar; an additional set of restraints was applied to make the phenyl rings symmetrical (Fig. 7). The anisotropic parameters of atoms C121 and C161 were set to be equal. Two disordered glycerol fragments in molecules 6 and 8 were resolved; restraints were applied to all interatomic distances in these fragments to make equivalent distances approximately equal. The anisotropic parameters of two closely located pairs of atoms (C117 and C217, and O24 and O34) were set as equal (Figs. 6 and 8). An additional set of restraints was applied to make the Si6— O16 and Si—O216 as well as the Si8—O22 and S8—O32 bond distances approximately equal. An anti-bumping restraint was added to prevent a short distance between calculated hydrogen-atom positions involving the low-occupancy fragment in molecule 6.
The ; Spek, 2009) was undertaken for three different crystals and confirmed the original assignment (Table 3).
of the title compound was known from the synthetic route. Analysis of the using (Flack, 1983Supporting information
https://doi.org/10.1107/S2056989018012021/zl2734sup1.cif
contains datablocks 1, 2. DOI:Structure factors: contains datablock 1. DOI: https://doi.org/10.1107/S2056989018012021/zl27341sup2.hkl
Structure factors: contains datablock 2. DOI: https://doi.org/10.1107/S2056989018012021/zl27342sup3.hkl
Supporting information file. DOI: https://doi.org/10.1107/S2056989018012021/zl27341sup4.cdx
Supporting information file. DOI: https://doi.org/10.1107/S2056989018012021/zl27341sup5.cml
Data collection: CrystalClear (Rigaku, 2009) for (1); APEX2 (Bruker, 2013) for (2). Cell
HKL-2000 (Otwinowski & Minor, 1997) for (1); SAINT (Bruker, 2013) for (2). Data reduction: CrystalClear (Rigaku, 2009) for (1); SAINT v8.34A (Bruker, 2013) for (2). For both structures, program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL (Sheldrick, 2015b). Molecular graphics: OLEX2 (Dolomanov et al., 2009) and VESTA3 (Momma & Izumi, 2008) for (1); OLEX2 (Dolomanov et al., 2009) for (2). For both structures, software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).C19H26O3Si | F(000) = 1424 |
Mr = 330.49 | Dx = 1.189 Mg m−3 |
Triclinic, P1 | Melting point: 334 K |
a = 14.7668 (2) Å | Mo Kα radiation, λ = 0.71075 Å |
b = 15.5936 (2) Å | Cell parameters from 124590 reflections |
c = 17.2270 (12) Å | θ = 3.0–27.5° |
α = 111.053 (8)° | µ = 0.14 mm−1 |
β = 91.616 (7)° | T = 123 K |
γ = 92.898 (7)° | Block, colourless |
V = 3692.7 (3) Å3 | 0.32 × 0.2 × 0.2 mm |
Z = 8 |
Rigaku R-AXIS RAPID II imaging plate diffractometer | 31303 reflections with I > 2σ(I) |
Radiation source: sealedtube | Rint = 0.026 |
ω scans | θmax = 27.5°, θmin = 3.0° |
Absorption correction: multi-scan (ABSCOR; Higashi, 1999) | h = −19→19 |
Tmin = 0.92, Tmax = 0.97 | k = −20→20 |
124586 measured reflections | l = −22→22 |
33607 independent reflections |
Refinement on F2 | Hydrogen site location: mixed |
Least-squares matrix: full | H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.037 | w = 1/[σ2(Fo2) + (0.0626P)2 + 0.2573P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.097 | (Δ/σ)max = 0.001 |
S = 1.06 | Δρmax = 0.43 e Å−3 |
33607 reflections | Δρmin = −0.23 e Å−3 |
1839 parameters | Absolute structure: Flack x determined using 14181 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013) |
378 restraints | Absolute structure parameter: −0.011 (14) |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Si1 | 0.61555 (4) | 0.63300 (4) | 0.22563 (4) | 0.02302 (12) | |
O1 | 0.66841 (11) | 0.57243 (11) | 0.27214 (10) | 0.0282 (3) | |
O2 | 0.69021 (13) | 0.54372 (13) | 0.42668 (11) | 0.0354 (4) | |
H2 | 0.708929 | 0.529686 | 0.466784 | 0.053* | |
O3 | 0.79590 (13) | 0.38796 (14) | 0.35641 (14) | 0.0432 (5) | |
H3A | 0.747580 | 0.376335 | 0.376358 | 0.065* | 0.786 (3) |
H3B | 0.798061 | 0.416581 | 0.408144 | 0.065* | 0.214 (3) |
C1 | 0.55248 (16) | 0.72079 (16) | 0.30582 (15) | 0.0283 (5) | |
C2 | 0.5266 (2) | 0.80169 (18) | 0.29668 (18) | 0.0414 (6) | |
H2A | 0.543812 | 0.814491 | 0.249026 | 0.050* | |
C3 | 0.4763 (3) | 0.8640 (2) | 0.3557 (2) | 0.0553 (9) | |
H3 | 0.458785 | 0.918285 | 0.347930 | 0.066* | |
C4 | 0.4517 (2) | 0.8461 (2) | 0.4261 (2) | 0.0508 (8) | |
H4 | 0.417658 | 0.888616 | 0.466707 | 0.061* | |
C5 | 0.47646 (19) | 0.7676 (2) | 0.43711 (16) | 0.0403 (6) | |
H5 | 0.459522 | 0.755771 | 0.485271 | 0.048* | |
C6 | 0.52646 (17) | 0.70526 (18) | 0.37768 (15) | 0.0320 (5) | |
H6 | 0.543315 | 0.651041 | 0.385932 | 0.038* | |
C7 | 0.53441 (16) | 0.54571 (16) | 0.14641 (15) | 0.0269 (5) | |
C8 | 0.58273 (19) | 0.46093 (17) | 0.09337 (17) | 0.0348 (5) | |
H8A | 0.538058 | 0.415045 | 0.055890 | 0.052* | |
H8B | 0.613331 | 0.434417 | 0.129883 | 0.052* | |
H8C | 0.627658 | 0.479199 | 0.060480 | 0.052* | |
C9 | 0.46171 (18) | 0.51413 (19) | 0.19453 (17) | 0.0350 (5) | |
H9A | 0.420584 | 0.465781 | 0.155153 | 0.053* | |
H9B | 0.427066 | 0.566548 | 0.225685 | 0.053* | |
H9C | 0.491215 | 0.489981 | 0.233360 | 0.053* | |
C10 | 0.48619 (17) | 0.58806 (19) | 0.08976 (16) | 0.0331 (5) | |
H10G | 0.438159 | 0.544153 | 0.055205 | 0.050* | |
H10H | 0.530212 | 0.602237 | 0.053857 | 0.050* | |
H10I | 0.459475 | 0.644767 | 0.124132 | 0.050* | |
C11 | 0.70220 (15) | 0.69357 (15) | 0.18192 (14) | 0.0250 (4) | |
C12 | 0.75406 (17) | 0.77016 (17) | 0.23650 (15) | 0.0311 (5) | |
H12 | 0.741796 | 0.792289 | 0.293952 | 0.037* | |
C13 | 0.82295 (18) | 0.81489 (19) | 0.20931 (17) | 0.0357 (5) | |
H13 | 0.857709 | 0.866182 | 0.247907 | 0.043* | |
C14 | 0.84048 (18) | 0.78426 (19) | 0.12586 (17) | 0.0354 (5) | |
H14 | 0.887069 | 0.814852 | 0.106715 | 0.042* | |
C15 | 0.79037 (18) | 0.70919 (18) | 0.07017 (16) | 0.0327 (5) | |
H15 | 0.802506 | 0.688187 | 0.012704 | 0.039* | |
C16 | 0.72214 (16) | 0.66420 (16) | 0.09798 (15) | 0.0280 (5) | |
H16 | 0.688373 | 0.612382 | 0.059032 | 0.034* | |
C17 | 0.74396 (16) | 0.61061 (17) | 0.33005 (16) | 0.0306 (5) | |
H17A | 0.729997 | 0.671327 | 0.370640 | 0.037* | |
H17B | 0.797811 | 0.619567 | 0.300173 | 0.037* | |
C18 | 0.76389 (17) | 0.54598 (18) | 0.37526 (16) | 0.0323 (5) | |
H18A | 0.820090 | 0.570878 | 0.411921 | 0.039* | |
C19 | 0.7798 (2) | 0.4501 (2) | 0.31488 (18) | 0.0397 (6) | |
H19A | 0.726116 | 0.426313 | 0.275843 | 0.048* | |
H19B | 0.832724 | 0.453661 | 0.281844 | 0.048* | |
Si2 | 0.38858 (4) | 0.35475 (4) | 0.76190 (4) | 0.02756 (14) | |
O4 | 0.31535 (15) | 0.39476 (14) | 0.71232 (12) | 0.0436 (5) | |
O5 | 0.24671 (16) | 0.39021 (15) | 0.50766 (13) | 0.0476 (5) | |
H5A | 0.270932 | 0.416753 | 0.478086 | 0.071* | |
O6 | 0.24659 (13) | 0.58621 (13) | 0.60907 (12) | 0.0377 (4) | |
H6A | 0.218187 | 0.631680 | 0.636898 | 0.057* | |
C21 | 0.44350 (17) | 0.25345 (17) | 0.68828 (16) | 0.0304 (5) | |
C22 | 0.4224 (2) | 0.16128 (18) | 0.68036 (18) | 0.0378 (6) | |
H22 | 0.379022 | 0.148659 | 0.715194 | 0.045* | |
C23 | 0.4633 (2) | 0.08876 (19) | 0.62303 (19) | 0.0436 (6) | |
H23A | 0.447497 | 0.027283 | 0.618501 | 0.052* | |
C24 | 0.5265 (2) | 0.10573 (19) | 0.57305 (19) | 0.0449 (6) | |
H24A | 0.554762 | 0.055944 | 0.534041 | 0.054* | |
C25 | 0.54968 (19) | 0.1957 (2) | 0.57896 (18) | 0.0422 (6) | |
H25 | 0.593592 | 0.207410 | 0.544114 | 0.051* | |
C26 | 0.50785 (18) | 0.26862 (18) | 0.63653 (16) | 0.0348 (5) | |
H26 | 0.523749 | 0.329858 | 0.640360 | 0.042* | |
C27 | 0.32445 (19) | 0.33114 (19) | 0.84642 (18) | 0.0387 (6) | |
C28 | 0.2401 (2) | 0.2642 (2) | 0.8096 (2) | 0.0577 (9) | |
H28A | 0.204234 | 0.259297 | 0.855041 | 0.087* | |
H28B | 0.259618 | 0.203352 | 0.776120 | 0.087* | |
H28C | 0.202988 | 0.287556 | 0.774448 | 0.087* | |
C29 | 0.3856 (3) | 0.2931 (3) | 0.8976 (2) | 0.0575 (9) | |
H29A | 0.351084 | 0.283093 | 0.941752 | 0.086* | |
H29B | 0.437476 | 0.337161 | 0.922643 | 0.086* | |
H29C | 0.407515 | 0.234487 | 0.861376 | 0.086* | |
C30 | 0.2904 (2) | 0.4230 (2) | 0.9044 (2) | 0.0525 (8) | |
H30A | 0.255049 | 0.412275 | 0.947684 | 0.079* | |
H30B | 0.252128 | 0.448713 | 0.871907 | 0.079* | |
H30C | 0.342533 | 0.466371 | 0.930402 | 0.079* | |
C31 | 0.47679 (17) | 0.45200 (16) | 0.80992 (15) | 0.0291 (5) | |
C32 | 0.56340 (18) | 0.43991 (18) | 0.83707 (17) | 0.0354 (5) | |
H32 | 0.579838 | 0.379632 | 0.830362 | 0.043* | |
C33 | 0.62588 (19) | 0.5138 (2) | 0.87355 (18) | 0.0404 (6) | |
H33A | 0.684415 | 0.503583 | 0.891550 | 0.048* | |
C34 | 0.6039 (2) | 0.60224 (18) | 0.88405 (17) | 0.0379 (6) | |
H34A | 0.647405 | 0.652685 | 0.908098 | 0.045* | |
C35 | 0.5180 (2) | 0.61643 (19) | 0.85918 (19) | 0.0430 (6) | |
H35 | 0.501670 | 0.677095 | 0.867387 | 0.052* | |
C36 | 0.45562 (19) | 0.54209 (18) | 0.82220 (18) | 0.0382 (6) | |
H36 | 0.397015 | 0.552783 | 0.804794 | 0.046* | |
C37 | 0.2786 (2) | 0.3584 (2) | 0.62953 (19) | 0.0436 (7) | |
H37A | 0.214690 | 0.335535 | 0.628855 | 0.052* | |
H37B | 0.313213 | 0.305940 | 0.596312 | 0.052* | |
C38 | 0.28307 (19) | 0.43203 (19) | 0.59164 (17) | 0.0391 (6) | |
H38 | 0.348020 | 0.453190 | 0.591015 | 0.047* | |
C39 | 0.23143 (18) | 0.5132 (2) | 0.64052 (18) | 0.0385 (6) | |
H39A | 0.165779 | 0.494685 | 0.635841 | 0.046* | |
H39B | 0.251804 | 0.534867 | 0.700067 | 0.046* | |
Si3 | 0.10145 (5) | 0.64517 (4) | 0.24219 (4) | 0.02706 (13) | |
O7 | 0.17348 (12) | 0.59985 (13) | 0.28903 (11) | 0.0348 (4) | |
O8 | 0.19471 (13) | 0.60054 (14) | 0.45611 (11) | 0.0372 (4) | |
H8 | 0.209598 | 0.574760 | 0.489371 | 0.056* | |
O9 | 0.33284 (14) | 0.46727 (17) | 0.41326 (15) | 0.0507 (5) | |
H9 | 0.387198 | 0.486363 | 0.427564 | 0.076* | |
C41 | 0.04136 (17) | 0.73817 (17) | 0.32184 (15) | 0.0309 (5) | |
C42 | 0.0499 (3) | 0.83191 (19) | 0.33473 (18) | 0.0476 (7) | |
H42 | 0.088980 | 0.852977 | 0.301546 | 0.057* | |
C43 | 0.0017 (3) | 0.8952 (2) | 0.3957 (2) | 0.0594 (9) | |
H43 | 0.008151 | 0.958692 | 0.403303 | 0.071* | |
C44 | −0.0550 (2) | 0.8665 (2) | 0.44492 (18) | 0.0498 (8) | |
H44 | −0.087335 | 0.910016 | 0.486410 | 0.060* | |
C45 | −0.0645 (2) | 0.7748 (2) | 0.43374 (17) | 0.0415 (6) | |
H45 | −0.103876 | 0.754479 | 0.467266 | 0.050* | |
C46 | −0.01643 (17) | 0.71138 (18) | 0.37312 (16) | 0.0335 (5) | |
H46 | −0.023097 | 0.648182 | 0.366456 | 0.040* | |
C47 | 0.1600 (2) | 0.6827 (2) | 0.16262 (17) | 0.0405 (6) | |
C48 | 0.2005 (3) | 0.5974 (3) | 0.1003 (2) | 0.0603 (9) | |
H48A | 0.231422 | 0.614619 | 0.057931 | 0.090* | |
H48B | 0.151794 | 0.550002 | 0.073461 | 0.090* | |
H48C | 0.244203 | 0.573318 | 0.129915 | 0.090* | |
C49 | 0.0905 (3) | 0.7199 (3) | 0.1168 (2) | 0.0555 (8) | |
H49A | 0.120607 | 0.737484 | 0.074240 | 0.083* | |
H49B | 0.064550 | 0.773960 | 0.156722 | 0.083* | |
H49C | 0.041985 | 0.672174 | 0.090233 | 0.083* | |
C50 | 0.2381 (2) | 0.7568 (3) | 0.2002 (2) | 0.0554 (8) | |
H50A | 0.265585 | 0.773040 | 0.155782 | 0.083* | |
H50B | 0.284053 | 0.732893 | 0.227787 | 0.083* | |
H50C | 0.214364 | 0.811690 | 0.240943 | 0.083* | |
C51 | 0.01679 (16) | 0.54692 (16) | 0.18823 (14) | 0.0262 (4) | |
C52 | −0.07118 (17) | 0.56076 (16) | 0.16473 (15) | 0.0294 (5) | |
H52 | −0.088508 | 0.621743 | 0.175927 | 0.035* | |
C53 | −0.13367 (17) | 0.48696 (18) | 0.12531 (16) | 0.0334 (5) | |
H53 | −0.193174 | 0.497712 | 0.110086 | 0.040* | |
C54 | −0.10914 (19) | 0.39809 (18) | 0.10835 (16) | 0.0358 (5) | |
H54 | −0.152030 | 0.347683 | 0.081948 | 0.043* | |
C55 | −0.0224 (2) | 0.38218 (18) | 0.12962 (17) | 0.0372 (6) | |
H55 | −0.005334 | 0.320920 | 0.117102 | 0.045* | |
C56 | 0.03976 (18) | 0.45620 (17) | 0.16944 (16) | 0.0335 (5) | |
H56 | 0.099193 | 0.444728 | 0.184171 | 0.040* | |
C57 | 0.24322 (19) | 0.6524 (2) | 0.34792 (18) | 0.0410 (6) | |
H57A | 0.221619 | 0.713264 | 0.380982 | 0.049* | |
H57B | 0.296793 | 0.662500 | 0.318260 | 0.049* | |
C58 | 0.26996 (17) | 0.6036 (2) | 0.40516 (16) | 0.0362 (6) | |
H58 | 0.322430 | 0.639833 | 0.442477 | 0.043* | |
C59 | 0.29851 (19) | 0.5084 (2) | 0.35744 (18) | 0.0421 (6) | |
H59A | 0.245861 | 0.469827 | 0.323703 | 0.051* | |
H59B | 0.346014 | 0.511857 | 0.319063 | 0.051* | |
Si4 | 0.37300 (4) | 0.86171 (4) | 0.77855 (4) | 0.02612 (13) | |
O10 | 0.41808 (12) | 0.76435 (12) | 0.72988 (12) | 0.0355 (4) | |
O11 | 0.42184 (15) | 0.62098 (15) | 0.56691 (12) | 0.0446 (5) | |
H11 | 0.369659 | 0.609246 | 0.580212 | 0.067* | |
O12 | 0.55936 (15) | 0.49972 (14) | 0.56002 (14) | 0.0502 (5) | |
H12G | 0.531541 | 0.486810 | 0.513625 | 0.075* | |
C61 | 0.28623 (16) | 0.82591 (18) | 0.83973 (15) | 0.0306 (5) | |
C62 | 0.21447 (19) | 0.8810 (2) | 0.87418 (18) | 0.0420 (6) | |
H62 | 0.213550 | 0.940669 | 0.871311 | 0.050* | |
C63 | 0.1453 (2) | 0.8506 (3) | 0.9121 (2) | 0.0568 (9) | |
H63 | 0.097149 | 0.888890 | 0.934293 | 0.068* | |
C64 | 0.1463 (2) | 0.7649 (3) | 0.9175 (2) | 0.0657 (11) | |
H64 | 0.098185 | 0.743520 | 0.942755 | 0.079* | |
C65 | 0.2162 (3) | 0.7102 (3) | 0.8869 (3) | 0.0658 (11) | |
H65 | 0.217459 | 0.651710 | 0.892325 | 0.079* | |
C66 | 0.2862 (2) | 0.7404 (2) | 0.8475 (2) | 0.0448 (7) | |
H66 | 0.334209 | 0.701701 | 0.825861 | 0.054* | |
C67 | 0.46068 (17) | 0.94979 (17) | 0.84805 (16) | 0.0324 (5) | |
C68 | 0.4177 (2) | 1.0364 (2) | 0.9048 (2) | 0.0517 (8) | |
H68A | 0.464725 | 1.078295 | 0.942914 | 0.078* | |
H68B | 0.371441 | 1.018913 | 0.937045 | 0.078* | |
H68C | 0.389453 | 1.067275 | 0.870717 | 0.078* | |
C69 | 0.5311 (2) | 0.9776 (2) | 0.7966 (2) | 0.0456 (7) | |
H69A | 0.580259 | 1.016954 | 0.833746 | 0.068* | |
H69B | 0.502258 | 1.011324 | 0.765365 | 0.068* | |
H69C | 0.555961 | 0.922209 | 0.757547 | 0.068* | |
C70 | 0.50708 (19) | 0.9049 (2) | 0.90383 (17) | 0.0368 (6) | |
H70A | 0.555739 | 0.947389 | 0.938920 | 0.055* | |
H70B | 0.532727 | 0.847826 | 0.868802 | 0.055* | |
H70C | 0.462278 | 0.890909 | 0.939207 | 0.055* | |
C71 | 0.31129 (16) | 0.89928 (17) | 0.70092 (15) | 0.0293 (5) | |
C72 | 0.26769 (19) | 0.98162 (18) | 0.72189 (18) | 0.0393 (6) | |
H72 | 0.275644 | 1.025092 | 0.777189 | 0.047* | |
C73 | 0.2134 (2) | 1.0019 (2) | 0.6648 (2) | 0.0454 (7) | |
H73 | 0.183909 | 1.058003 | 0.681226 | 0.054* | |
C74 | 0.2022 (2) | 0.9401 (2) | 0.58379 (19) | 0.0518 (6) | |
H74 | 0.165166 | 0.953191 | 0.543945 | 0.062* | |
C75 | 0.2454 (3) | 0.8599 (3) | 0.5619 (2) | 0.0579 (6) | |
H75 | 0.238062 | 0.817055 | 0.506290 | 0.069* | |
C76 | 0.2994 (3) | 0.8399 (3) | 0.61900 (19) | 0.0542 (7) | |
H76 | 0.329166 | 0.783946 | 0.601610 | 0.065* | |
C77 | 0.49733 (18) | 0.73901 (18) | 0.68600 (18) | 0.0377 (6) | |
H77A | 0.550851 | 0.751939 | 0.725350 | 0.045* | |
H77B | 0.506795 | 0.774269 | 0.648902 | 0.045* | |
C78 | 0.48489 (17) | 0.63693 (18) | 0.63530 (16) | 0.0327 (5) | |
H78 | 0.461320 | 0.603819 | 0.671419 | 0.039* | |
C79 | 0.5724 (2) | 0.5977 (2) | 0.5999 (2) | 0.0543 (8) | |
H79A | 0.592464 | 0.625071 | 0.559031 | 0.065* | |
H79B | 0.620163 | 0.613196 | 0.645119 | 0.065* | |
Si5 | 0.88653 (4) | 0.87436 (5) | 0.76889 (4) | 0.02719 (13) | |
O13 | 0.97056 (11) | 0.80907 (12) | 0.72967 (10) | 0.0294 (3) | |
O14 | 1.13384 (13) | 0.71860 (15) | 0.68599 (12) | 0.0434 (5) | |
H14G | 1.116650 | 0.746340 | 0.734176 | 0.065* | |
O15 | 0.93375 (12) | 0.61086 (13) | 0.54754 (11) | 0.0332 (4) | |
H15H | 0.955030 | 0.581631 | 0.501441 | 0.050* | |
C81 | 0.80756 (16) | 0.87774 (18) | 0.68306 (15) | 0.0304 (5) | |
C82 | 0.7837 (2) | 0.9607 (2) | 0.67661 (18) | 0.0406 (6) | |
H82 | 0.808726 | 1.017270 | 0.716296 | 0.049* | |
C83 | 0.7239 (2) | 0.9618 (2) | 0.6131 (2) | 0.0504 (7) | |
H83 | 0.709110 | 1.018822 | 0.609444 | 0.060* | |
C84 | 0.6861 (2) | 0.8806 (2) | 0.55566 (19) | 0.0464 (7) | |
H84 | 0.644103 | 0.881682 | 0.513236 | 0.056* | |
C85 | 0.7093 (2) | 0.7975 (2) | 0.55975 (18) | 0.0430 (6) | |
H85 | 0.684249 | 0.741250 | 0.519510 | 0.052* | |
C86 | 0.76922 (19) | 0.7965 (2) | 0.62273 (17) | 0.0383 (6) | |
H86 | 0.784675 | 0.739039 | 0.624976 | 0.046* | |
C87 | 0.82943 (18) | 0.8190 (2) | 0.83793 (17) | 0.0377 (6) | |
C88 | 0.8130 (3) | 0.7149 (2) | 0.7926 (2) | 0.0581 (9) | |
H88A | 0.778574 | 0.688632 | 0.827396 | 0.087* | |
H88B | 0.871492 | 0.686853 | 0.781385 | 0.087* | |
H88C | 0.778583 | 0.702613 | 0.739800 | 0.087* | |
C89 | 0.7378 (2) | 0.8591 (3) | 0.8626 (2) | 0.0543 (8) | |
H89A | 0.708876 | 0.830164 | 0.898336 | 0.081* | |
H89B | 0.698778 | 0.847227 | 0.812366 | 0.081* | |
H89C | 0.746883 | 0.925660 | 0.892849 | 0.081* | |
C90 | 0.8891 (2) | 0.8373 (3) | 0.9172 (2) | 0.0664 (11) | |
H90A | 0.857018 | 0.812676 | 0.954548 | 0.100* | |
H90B | 0.902198 | 0.903770 | 0.945298 | 0.100* | |
H90C | 0.946060 | 0.807130 | 0.902548 | 0.100* | |
C91 | 0.93561 (17) | 0.99359 (17) | 0.83126 (15) | 0.0311 (5) | |
C92 | 1.02972 (19) | 1.01190 (19) | 0.83624 (18) | 0.0373 (6) | |
H92 | 1.066826 | 0.964248 | 0.806060 | 0.045* | |
C93 | 1.0704 (2) | 1.0973 (2) | 0.8838 (2) | 0.0484 (7) | |
H93 | 1.134510 | 1.107589 | 0.886178 | 0.058* | |
C94 | 1.0173 (2) | 1.1678 (2) | 0.92790 (19) | 0.0472 (7) | |
H94 | 1.044778 | 1.226618 | 0.960749 | 0.057* | |
C95 | 0.9245 (2) | 1.1519 (2) | 0.92371 (18) | 0.0474 (7) | |
H95 | 0.887887 | 1.200099 | 0.953803 | 0.057* | |
C96 | 0.8840 (2) | 1.0666 (2) | 0.87622 (17) | 0.0400 (6) | |
H96 | 0.819766 | 1.057238 | 0.873956 | 0.048* | |
C97 | 1.01154 (17) | 0.79928 (18) | 0.65271 (16) | 0.0320 (5) | |
H97A | 1.054265 | 0.853006 | 0.660352 | 0.038* | |
H97B | 0.964246 | 0.795930 | 0.609646 | 0.038* | |
C98 | 1.06162 (16) | 0.71211 (18) | 0.62577 (15) | 0.0321 (5) | |
H98 | 1.089481 | 0.705336 | 0.571805 | 0.038* | |
C99 | 1.00152 (18) | 0.62580 (18) | 0.61256 (16) | 0.0347 (5) | |
H99A | 1.039301 | 0.572088 | 0.598198 | 0.042* | |
H99B | 0.971842 | 0.631657 | 0.664878 | 0.042* | |
Si6 | 0.88453 (5) | 0.36705 (5) | 0.77432 (4) | 0.03133 (15) | |
C101 | 0.94351 (17) | 0.2720 (2) | 0.69782 (16) | 0.0353 (5) | |
C102 | 0.9514 (2) | 0.1865 (2) | 0.70689 (18) | 0.0438 (6) | |
H102 | 0.923495 | 0.175615 | 0.751808 | 0.053* | |
C103 | 0.9984 (2) | 0.1184 (2) | 0.6525 (2) | 0.0522 (8) | |
H103 | 1.002645 | 0.061270 | 0.660090 | 0.063* | |
C104 | 1.0399 (2) | 0.1327 (2) | 0.5862 (2) | 0.0520 (8) | |
H104 | 1.072680 | 0.085585 | 0.548693 | 0.062* | |
C105 | 1.0334 (2) | 0.2151 (2) | 0.57512 (18) | 0.0472 (7) | |
H105 | 1.061626 | 0.225023 | 0.529899 | 0.057* | |
C106 | 0.98572 (19) | 0.2840 (2) | 0.62976 (17) | 0.0403 (6) | |
H106 | 0.981414 | 0.340505 | 0.621103 | 0.048* | |
C107 | 0.96953 (17) | 0.44831 (19) | 0.85368 (17) | 0.0346 (5) | |
C108 | 1.0427 (2) | 0.4809 (3) | 0.8069 (2) | 0.0514 (8) | |
H10A | 1.085503 | 0.526451 | 0.847148 | 0.077* | |
H10B | 1.013940 | 0.508884 | 0.770655 | 0.077* | |
H10C | 1.075384 | 0.428149 | 0.773077 | 0.077* | |
C109 | 0.9237 (2) | 0.5338 (2) | 0.9105 (2) | 0.0490 (7) | |
H10D | 0.969904 | 0.577598 | 0.948039 | 0.074* | |
H10E | 0.879168 | 0.514956 | 0.943375 | 0.074* | |
H10F | 0.893095 | 0.562960 | 0.876220 | 0.074* | |
C110 | 1.01575 (19) | 0.4002 (2) | 0.90628 (18) | 0.0416 (6) | |
H11A | 1.063828 | 0.441975 | 0.942992 | 0.062* | |
H11B | 1.042164 | 0.344527 | 0.869459 | 0.062* | |
H11C | 0.970785 | 0.383341 | 0.939964 | 0.062* | |
C111 | 0.79256 (17) | 0.31127 (18) | 0.81691 (16) | 0.0310 (5) | |
C112 | 0.73553 (19) | 0.2395 (2) | 0.76089 (17) | 0.0391 (6) | |
H112 | 0.745148 | 0.220398 | 0.702992 | 0.047* | |
C113 | 0.66535 (19) | 0.1957 (2) | 0.78776 (18) | 0.0417 (6) | |
H113 | 0.627749 | 0.147450 | 0.748520 | 0.050* | |
C114 | 0.65065 (18) | 0.22277 (19) | 0.87202 (18) | 0.0370 (6) | |
H114 | 0.603082 | 0.193032 | 0.890902 | 0.044* | |
C115 | 0.70565 (18) | 0.29340 (18) | 0.92853 (17) | 0.0348 (5) | |
H115 | 0.695762 | 0.312102 | 0.986357 | 0.042* | |
C116 | 0.77497 (17) | 0.33692 (17) | 0.90130 (15) | 0.0310 (5) | |
H116 | 0.811651 | 0.385600 | 0.941049 | 0.037* | |
O16 | 0.8413 (3) | 0.4378 (2) | 0.7320 (2) | 0.0295 (7) | 0.786 (3) |
O17 | 0.66290 (14) | 0.36915 (16) | 0.56641 (14) | 0.0288 (5) | 0.786 (3) |
H17 | 0.641130 | 0.420659 | 0.577089 | 0.043* | 0.786 (3) |
O18 | 0.78044 (14) | 0.51423 (18) | 0.56184 (14) | 0.0305 (5) | 0.786 (3) |
H18 | 0.823683 | 0.552541 | 0.564675 | 0.046* | 0.786 (3) |
C117 | 0.7537 (2) | 0.4333 (2) | 0.69416 (19) | 0.0298 (6) | 0.786 (3) |
H11D | 0.734784 | 0.496459 | 0.705123 | 0.036* | 0.786 (3) |
H11E | 0.709390 | 0.401800 | 0.718637 | 0.036* | 0.786 (3) |
C118 | 0.7543 (2) | 0.3820 (3) | 0.6018 (2) | 0.0270 (7) | 0.786 (3) |
H118 | 0.776543 | 0.319758 | 0.592664 | 0.032* | 0.786 (3) |
C119 | 0.8157 (2) | 0.4282 (2) | 0.5570 (2) | 0.0302 (7) | 0.786 (3) |
H11F | 0.877921 | 0.439365 | 0.583011 | 0.036* | 0.786 (3) |
H11G | 0.818599 | 0.387612 | 0.497904 | 0.036* | 0.786 (3) |
O216 | 0.8405 (12) | 0.4055 (9) | 0.7100 (8) | 0.037 (3) | 0.214 (3) |
O217 | 0.7036 (9) | 0.3927 (8) | 0.5286 (7) | 0.059 (3) | 0.214 (3) |
H217 | 0.709944 | 0.423297 | 0.497519 | 0.088* | 0.214 (3) |
O218 | 0.7677 (7) | 0.5777 (8) | 0.5857 (6) | 0.042 (2) | 0.214 (3) |
H218 | 0.819255 | 0.584536 | 0.568471 | 0.062* | 0.214 (3) |
C217 | 0.7670 (8) | 0.3719 (9) | 0.6518 (8) | 0.0298 (6) | 0.214 (3) |
H21A | 0.709107 | 0.383325 | 0.680419 | 0.036* | 0.214 (3) |
H21B | 0.769474 | 0.304764 | 0.622210 | 0.036* | 0.214 (3) |
C218 | 0.7723 (11) | 0.4207 (11) | 0.5912 (9) | 0.037 (2) | 0.214 (3) |
H21C | 0.831469 | 0.407584 | 0.563820 | 0.044* | 0.214 (3) |
C219 | 0.7737 (8) | 0.5228 (8) | 0.6391 (8) | 0.042 (3) | 0.214 (3) |
H21D | 0.722256 | 0.535594 | 0.676339 | 0.050* | 0.214 (3) |
H21E | 0.830514 | 0.542541 | 0.674459 | 0.050* | 0.214 (3) |
Si7 | 0.14019 (4) | 0.15762 (4) | 0.25987 (4) | 0.02807 (14) | |
O19 | 0.09203 (13) | 0.25157 (13) | 0.31485 (14) | 0.0435 (5) | |
O20 | 0.05865 (16) | 0.38991 (17) | 0.48986 (13) | 0.0511 (5) | |
H20 | 0.113962 | 0.383782 | 0.480665 | 0.077* | |
O21 | 0.02256 (13) | 0.52176 (12) | 0.41127 (12) | 0.0382 (4) | |
H21 | 0.074086 | 0.548934 | 0.427127 | 0.046* | |
C127 | 0.05758 (18) | 0.06869 (19) | 0.18395 (17) | 0.0358 (6) | |
C128 | 0.1066 (3) | −0.0140 (2) | 0.1288 (2) | 0.0594 (9) | |
H12A | 0.063001 | −0.057147 | 0.087394 | 0.089* | |
H12B | 0.133694 | −0.044959 | 0.163322 | 0.089* | |
H12C | 0.154357 | 0.007156 | 0.100272 | 0.089* | |
C129 | 0.0134 (2) | 0.1143 (3) | 0.1276 (2) | 0.0578 (9) | |
H12D | −0.029185 | 0.069362 | 0.086496 | 0.087* | |
H12E | 0.060600 | 0.135680 | 0.098673 | 0.087* | |
H12F | −0.019389 | 0.166813 | 0.161691 | 0.087* | |
C130 | −0.0180 (2) | 0.0340 (2) | 0.2272 (2) | 0.0431 (7) | |
H13A | −0.058291 | −0.012620 | 0.185087 | 0.065* | |
H13B | −0.053045 | 0.085646 | 0.259206 | 0.065* | |
H13C | 0.009141 | 0.006716 | 0.264750 | 0.065* | |
C131 | 0.22497 (17) | 0.20001 (17) | 0.20134 (16) | 0.0308 (5) | |
C132 | 0.30364 (19) | 0.1546 (2) | 0.17488 (19) | 0.0408 (6) | |
H132 | 0.314409 | 0.101330 | 0.187446 | 0.049* | |
C133 | 0.3665 (2) | 0.1848 (2) | 0.1309 (2) | 0.0478 (7) | |
H133 | 0.419462 | 0.152312 | 0.113448 | 0.057* | |
C134 | 0.3523 (2) | 0.2621 (2) | 0.1122 (2) | 0.0487 (7) | |
H134 | 0.395430 | 0.283292 | 0.082189 | 0.058* | |
C135 | 0.2751 (2) | 0.3083 (2) | 0.1376 (2) | 0.0562 (8) | |
H135 | 0.264641 | 0.361187 | 0.124346 | 0.067* | |
C136 | 0.2125 (2) | 0.2782 (2) | 0.1822 (2) | 0.0450 (7) | |
H136 | 0.160148 | 0.311565 | 0.200119 | 0.054* | |
C137 | 0.01100 (17) | 0.26565 (18) | 0.35746 (17) | 0.0340 (5) | |
H13D | 0.007333 | 0.226802 | 0.391950 | 0.041* | |
H13E | −0.041597 | 0.247194 | 0.316721 | 0.041* | |
C138 | 0.00733 (18) | 0.36590 (18) | 0.41259 (16) | 0.0349 (5) | |
H138 | −0.057515 | 0.375533 | 0.426684 | 0.042* | |
C139 | 0.0323 (2) | 0.42710 (18) | 0.36523 (17) | 0.0388 (6) | |
H13F | 0.096065 | 0.418716 | 0.349340 | 0.047* | |
H13G | −0.006603 | 0.408044 | 0.313342 | 0.047* | |
C121 | 0.2032 (12) | 0.1180 (7) | 0.3340 (7) | 0.0296 (15) | 0.646 (5) |
C122 | 0.1867 (4) | 0.0344 (3) | 0.3427 (3) | 0.0510 (14) | 0.646 (5) |
H122 | 0.139466 | −0.007006 | 0.309054 | 0.061* | 0.646 (5) |
C123 | 0.2374 (5) | 0.0084 (5) | 0.3994 (4) | 0.0653 (18) | 0.646 (5) |
H123 | 0.224453 | −0.050264 | 0.403104 | 0.078* | 0.646 (5) |
C124 | 0.3037 (10) | 0.0650 (8) | 0.4485 (7) | 0.060 (4) | 0.646 (5) |
H124 | 0.337438 | 0.047380 | 0.487500 | 0.072* | 0.646 (5) |
C125 | 0.3223 (4) | 0.1492 (4) | 0.4416 (3) | 0.0543 (15) | 0.646 (5) |
H125 | 0.370341 | 0.189244 | 0.475452 | 0.065* | 0.646 (5) |
C126 | 0.2716 (3) | 0.1771 (3) | 0.3855 (3) | 0.0478 (12) | 0.646 (5) |
H126 | 0.284282 | 0.236252 | 0.382786 | 0.057* | 0.646 (5) |
C161 | 0.199 (2) | 0.1027 (15) | 0.3303 (12) | 0.0296 (15) | 0.354 (5) |
C162 | 0.2437 (6) | 0.0217 (5) | 0.2988 (5) | 0.0353 (19) | 0.354 (5) |
H162 | 0.238611 | −0.012324 | 0.242120 | 0.042* | 0.354 (5) |
C163 | 0.2902 (6) | −0.0109 (5) | 0.3527 (5) | 0.042 (2) | 0.354 (5) |
H163 | 0.313109 | −0.068409 | 0.332992 | 0.050* | 0.354 (5) |
C164 | 0.2983 (19) | 0.0375 (12) | 0.4362 (11) | 0.047 (4) | 0.354 (5) |
H164 | 0.332614 | 0.015460 | 0.471806 | 0.057* | 0.354 (5) |
C165 | 0.2568 (8) | 0.1176 (6) | 0.4678 (5) | 0.049 (3) | 0.354 (5) |
H165 | 0.258613 | 0.149093 | 0.524925 | 0.059* | 0.354 (5) |
C166 | 0.2088 (5) | 0.1522 (4) | 0.4154 (4) | 0.0317 (18) | 0.354 (5) |
H166 | 0.180522 | 0.206389 | 0.439185 | 0.038* | 0.354 (5) |
Si8 | 0.63688 (4) | 0.09100 (4) | 0.21825 (4) | 0.02685 (13) | |
C141 | 0.70785 (16) | 0.08392 (17) | 0.30793 (15) | 0.0292 (5) | |
C142 | 0.6985 (2) | 0.00816 (19) | 0.33224 (17) | 0.0405 (6) | |
H142 | 0.659140 | −0.043213 | 0.300108 | 0.049* | |
C143 | 0.7454 (3) | 0.0058 (2) | 0.40232 (19) | 0.0515 (8) | |
H143 | 0.737393 | −0.046713 | 0.417673 | 0.062* | |
C144 | 0.8033 (2) | 0.0790 (2) | 0.44978 (18) | 0.0449 (7) | |
H144 | 0.835157 | 0.077344 | 0.497847 | 0.054* | |
C145 | 0.81439 (19) | 0.1541 (2) | 0.42694 (17) | 0.0406 (6) | |
H145 | 0.854004 | 0.205100 | 0.459502 | 0.049* | |
C146 | 0.76814 (19) | 0.15643 (19) | 0.35645 (17) | 0.0369 (6) | |
H146 | 0.777799 | 0.208647 | 0.340892 | 0.044* | |
C147 | 0.70145 (18) | 0.12017 (18) | 0.13638 (16) | 0.0342 (5) | |
C148 | 0.7673 (3) | 0.2053 (2) | 0.1758 (2) | 0.0549 (8) | |
H14A | 0.796300 | 0.221106 | 0.131812 | 0.082* | |
H14B | 0.813845 | 0.192121 | 0.210881 | 0.082* | |
H14C | 0.733749 | 0.257208 | 0.209969 | 0.082* | |
C149 | 0.7550 (2) | 0.0395 (2) | 0.0848 (2) | 0.0473 (7) | |
H14D | 0.789923 | 0.057203 | 0.044784 | 0.071* | |
H14E | 0.712933 | −0.013532 | 0.054855 | 0.071* | |
H14F | 0.796649 | 0.023084 | 0.121854 | 0.071* | |
C150 | 0.6320 (2) | 0.1409 (2) | 0.0787 (2) | 0.0492 (7) | |
H15A | 0.663621 | 0.155143 | 0.035144 | 0.074* | |
H15B | 0.598558 | 0.193696 | 0.111107 | 0.074* | |
H15C | 0.589445 | 0.086993 | 0.053048 | 0.074* | |
C151 | 0.56551 (16) | −0.01935 (16) | 0.16614 (15) | 0.0274 (5) | |
C152 | 0.47140 (18) | −0.01715 (18) | 0.16254 (19) | 0.0380 (6) | |
H152 | 0.444641 | 0.039197 | 0.190579 | 0.046* | |
C153 | 0.41529 (19) | −0.0956 (2) | 0.1188 (2) | 0.0446 (7) | |
H153 | 0.351223 | −0.092273 | 0.117903 | 0.054* | |
C154 | 0.4525 (2) | −0.17712 (19) | 0.07725 (18) | 0.0395 (6) | |
H154 | 0.414393 | −0.230106 | 0.046364 | 0.047* | |
C155 | 0.54551 (19) | −0.18232 (17) | 0.08026 (16) | 0.0338 (5) | |
H155 | 0.571333 | −0.239139 | 0.051943 | 0.041* | |
C156 | 0.60149 (17) | −0.10464 (17) | 0.12464 (15) | 0.0298 (5) | |
H156 | 0.665330 | −0.109342 | 0.126918 | 0.036* | |
O22 | 0.5705 (3) | 0.1764 (2) | 0.2526 (3) | 0.0296 (7) | 0.876 (4) |
C157 | 0.5246 (2) | 0.1996 (3) | 0.3281 (3) | 0.0320 (9) | 0.876 (4) |
H15D | 0.546561 | 0.163298 | 0.360853 | 0.038* | 0.876 (4) |
H15E | 0.458639 | 0.184425 | 0.315607 | 0.038* | 0.876 (4) |
O23 | 0.63645 (13) | 0.32237 (14) | 0.40090 (12) | 0.0327 (5) | 0.876 (4) |
H23 | 0.645294 | 0.331077 | 0.451628 | 0.049* | 0.876 (4) |
C158 | 0.54175 (18) | 0.30091 (19) | 0.37800 (17) | 0.0282 (6) | 0.876 (4) |
H158 | 0.507180 | 0.316499 | 0.429855 | 0.034* | 0.876 (4) |
C159 | 0.5134 (2) | 0.3615 (2) | 0.3308 (2) | 0.0318 (6) | 0.876 (4) |
H15F | 0.552705 | 0.352730 | 0.283249 | 0.038* | 0.876 (4) |
H15G | 0.449929 | 0.343711 | 0.308474 | 0.038* | 0.876 (4) |
O24 | 0.5210 (3) | 0.4573 (2) | 0.3857 (2) | 0.0364 (7) | 0.876 (4) |
H24 | 0.574248 | 0.479258 | 0.386301 | 0.055* | 0.876 (4) |
O32 | 0.555 (2) | 0.168 (2) | 0.260 (2) | 0.0296 (7) | 0.124 (4) |
C257 | 0.501 (2) | 0.1968 (18) | 0.332 (2) | 0.035 (4) | 0.124 (4) |
H25A | 0.535481 | 0.189392 | 0.378560 | 0.042* | 0.124 (4) |
H25B | 0.445436 | 0.154660 | 0.319806 | 0.042* | 0.124 (4) |
O33 | 0.4403 (12) | 0.3227 (13) | 0.4425 (10) | 0.055 (5) | 0.124 (4) |
H33 | 0.452014 | 0.283000 | 0.463143 | 0.082* | 0.124 (4) |
C258 | 0.4715 (14) | 0.2950 (13) | 0.3599 (12) | 0.042 (4) | 0.124 (4) |
H258 | 0.420430 | 0.297631 | 0.321602 | 0.050* | 0.124 (4) |
C259 | 0.5449 (16) | 0.3628 (15) | 0.3601 (18) | 0.044 (4) | 0.124 (4) |
H25C | 0.588315 | 0.372516 | 0.407838 | 0.053* | 0.124 (4) |
H25D | 0.578078 | 0.337877 | 0.308408 | 0.053* | 0.124 (4) |
O34 | 0.511 (3) | 0.4503 (18) | 0.366 (2) | 0.0364 (7) | 0.124 (4) |
H34 | 0.5742 (8) | 0.4793 (7) | 0.3863 (18) | 0.055* | 0.124 (4) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Si1 | 0.0252 (3) | 0.0226 (3) | 0.0218 (3) | −0.0013 (2) | −0.0012 (2) | 0.0091 (2) |
O1 | 0.0287 (8) | 0.0286 (8) | 0.0296 (8) | −0.0026 (7) | −0.0075 (6) | 0.0145 (7) |
O2 | 0.0375 (9) | 0.0414 (10) | 0.0309 (9) | −0.0001 (8) | −0.0046 (7) | 0.0184 (8) |
O3 | 0.0368 (10) | 0.0467 (11) | 0.0578 (12) | 0.0102 (9) | 0.0035 (9) | 0.0320 (10) |
C1 | 0.0301 (12) | 0.0265 (11) | 0.0254 (11) | −0.0050 (9) | −0.0010 (9) | 0.0070 (9) |
C2 | 0.0581 (18) | 0.0277 (13) | 0.0384 (14) | 0.0026 (12) | 0.0136 (12) | 0.0112 (11) |
C3 | 0.079 (2) | 0.0292 (14) | 0.0544 (19) | 0.0095 (14) | 0.0219 (17) | 0.0095 (13) |
C4 | 0.0601 (19) | 0.0388 (15) | 0.0398 (15) | 0.0011 (13) | 0.0174 (14) | −0.0032 (12) |
C5 | 0.0403 (14) | 0.0460 (16) | 0.0271 (12) | −0.0098 (12) | 0.0034 (10) | 0.0055 (11) |
C6 | 0.0315 (12) | 0.0358 (13) | 0.0268 (12) | −0.0049 (10) | −0.0008 (9) | 0.0101 (10) |
C7 | 0.0272 (11) | 0.0251 (11) | 0.0278 (11) | −0.0020 (9) | −0.0021 (9) | 0.0096 (9) |
C8 | 0.0391 (14) | 0.0245 (12) | 0.0359 (13) | −0.0007 (10) | −0.0006 (10) | 0.0056 (10) |
C9 | 0.0341 (13) | 0.0344 (13) | 0.0363 (13) | −0.0088 (10) | −0.0013 (10) | 0.0141 (11) |
C10 | 0.0312 (12) | 0.0377 (13) | 0.0309 (12) | −0.0026 (10) | −0.0079 (10) | 0.0141 (10) |
C11 | 0.0243 (11) | 0.0239 (11) | 0.0287 (11) | 0.0012 (8) | −0.0011 (8) | 0.0119 (9) |
C12 | 0.0349 (13) | 0.0297 (12) | 0.0284 (12) | −0.0032 (10) | −0.0014 (9) | 0.0111 (10) |
C13 | 0.0350 (13) | 0.0312 (12) | 0.0402 (14) | −0.0082 (10) | −0.0026 (10) | 0.0136 (11) |
C14 | 0.0317 (13) | 0.0356 (13) | 0.0446 (15) | −0.0011 (10) | 0.0043 (10) | 0.0216 (12) |
C15 | 0.0347 (13) | 0.0345 (13) | 0.0323 (12) | 0.0021 (10) | 0.0060 (10) | 0.0157 (10) |
C16 | 0.0291 (11) | 0.0262 (11) | 0.0287 (12) | −0.0002 (9) | −0.0002 (9) | 0.0102 (9) |
C17 | 0.0280 (12) | 0.0324 (12) | 0.0327 (12) | −0.0050 (9) | −0.0072 (9) | 0.0148 (10) |
C18 | 0.0288 (12) | 0.0378 (13) | 0.0339 (12) | −0.0021 (10) | −0.0067 (9) | 0.0188 (11) |
C19 | 0.0411 (14) | 0.0434 (15) | 0.0422 (14) | 0.0104 (12) | 0.0014 (11) | 0.0236 (12) |
Si2 | 0.0291 (3) | 0.0233 (3) | 0.0289 (3) | 0.0006 (2) | −0.0046 (2) | 0.0084 (3) |
O4 | 0.0502 (12) | 0.0376 (10) | 0.0382 (10) | 0.0137 (9) | −0.0146 (9) | 0.0076 (8) |
O5 | 0.0568 (13) | 0.0442 (12) | 0.0382 (11) | 0.0037 (9) | −0.0114 (9) | 0.0114 (9) |
O6 | 0.0386 (10) | 0.0348 (10) | 0.0392 (10) | 0.0122 (8) | −0.0008 (8) | 0.0116 (8) |
C21 | 0.0298 (12) | 0.0264 (11) | 0.0330 (12) | 0.0011 (9) | −0.0086 (9) | 0.0090 (9) |
C22 | 0.0453 (15) | 0.0277 (12) | 0.0388 (14) | −0.0009 (11) | −0.0081 (11) | 0.0112 (11) |
C23 | 0.0522 (13) | 0.0281 (11) | 0.0435 (13) | 0.0055 (10) | −0.0127 (10) | 0.0054 (10) |
C24 | 0.0496 (13) | 0.0307 (11) | 0.0436 (13) | 0.0110 (10) | −0.0149 (10) | 0.0005 (10) |
C25 | 0.0340 (14) | 0.0463 (16) | 0.0382 (14) | 0.0052 (12) | −0.0010 (11) | 0.0052 (12) |
C26 | 0.0339 (13) | 0.0291 (12) | 0.0361 (13) | 0.0002 (10) | −0.0020 (10) | 0.0059 (10) |
C27 | 0.0383 (14) | 0.0378 (14) | 0.0382 (14) | −0.0053 (11) | 0.0030 (11) | 0.0125 (11) |
C28 | 0.0465 (18) | 0.0452 (18) | 0.069 (2) | −0.0146 (14) | 0.0125 (16) | 0.0076 (16) |
C29 | 0.070 (2) | 0.066 (2) | 0.0472 (18) | −0.0041 (18) | 0.0014 (16) | 0.0348 (17) |
C30 | 0.0455 (17) | 0.0500 (18) | 0.0480 (17) | −0.0069 (14) | 0.0114 (13) | 0.0016 (14) |
C31 | 0.0336 (12) | 0.0251 (11) | 0.0291 (12) | 0.0019 (9) | −0.0009 (9) | 0.0106 (9) |
C32 | 0.0342 (13) | 0.0279 (12) | 0.0409 (14) | 0.0030 (10) | −0.0031 (10) | 0.0086 (11) |
C33 | 0.0321 (13) | 0.0408 (15) | 0.0425 (15) | −0.0002 (11) | −0.0034 (11) | 0.0088 (12) |
C34 | 0.0447 (15) | 0.0299 (13) | 0.0325 (13) | −0.0110 (11) | 0.0006 (11) | 0.0052 (10) |
C35 | 0.0545 (17) | 0.0252 (13) | 0.0484 (16) | −0.0005 (11) | −0.0031 (13) | 0.0128 (12) |
C36 | 0.0404 (14) | 0.0257 (12) | 0.0463 (15) | 0.0029 (10) | −0.0068 (11) | 0.0107 (11) |
C37 | 0.0422 (15) | 0.0357 (14) | 0.0474 (16) | 0.0002 (11) | −0.0196 (12) | 0.0102 (12) |
C38 | 0.0373 (14) | 0.0386 (14) | 0.0377 (14) | 0.0062 (11) | −0.0099 (11) | 0.0096 (11) |
C39 | 0.0335 (13) | 0.0433 (15) | 0.0401 (14) | 0.0084 (11) | −0.0019 (11) | 0.0162 (12) |
Si3 | 0.0289 (3) | 0.0253 (3) | 0.0252 (3) | −0.0013 (2) | −0.0016 (2) | 0.0076 (2) |
O7 | 0.0321 (9) | 0.0362 (10) | 0.0317 (9) | 0.0017 (7) | −0.0091 (7) | 0.0078 (8) |
O8 | 0.0357 (9) | 0.0470 (11) | 0.0288 (9) | 0.0105 (8) | 0.0011 (7) | 0.0126 (8) |
O9 | 0.0351 (10) | 0.0614 (14) | 0.0621 (14) | 0.0131 (10) | 0.0027 (9) | 0.0289 (11) |
C41 | 0.0366 (13) | 0.0262 (11) | 0.0270 (11) | 0.0003 (9) | −0.0063 (9) | 0.0068 (9) |
C42 | 0.079 (2) | 0.0293 (14) | 0.0337 (14) | 0.0037 (14) | 0.0031 (14) | 0.0099 (11) |
C43 | 0.105 (3) | 0.0269 (14) | 0.0429 (17) | 0.0167 (16) | 0.0013 (17) | 0.0072 (13) |
C44 | 0.065 (2) | 0.0452 (16) | 0.0302 (14) | 0.0217 (15) | −0.0054 (13) | 0.0007 (12) |
C45 | 0.0395 (14) | 0.0478 (16) | 0.0317 (13) | 0.0085 (12) | −0.0016 (11) | 0.0072 (12) |
C46 | 0.0323 (12) | 0.0323 (13) | 0.0322 (12) | 0.0023 (10) | −0.0007 (10) | 0.0075 (10) |
C47 | 0.0448 (15) | 0.0400 (15) | 0.0348 (14) | −0.0083 (12) | 0.0030 (11) | 0.0126 (12) |
C48 | 0.068 (2) | 0.055 (2) | 0.0510 (19) | −0.0026 (17) | 0.0263 (17) | 0.0110 (16) |
C49 | 0.066 (2) | 0.070 (2) | 0.0388 (16) | −0.0095 (17) | −0.0042 (14) | 0.0326 (16) |
C50 | 0.0506 (18) | 0.058 (2) | 0.061 (2) | −0.0204 (15) | 0.0007 (15) | 0.0283 (17) |
C51 | 0.0309 (11) | 0.0265 (11) | 0.0222 (10) | 0.0003 (9) | 0.0005 (8) | 0.0104 (9) |
C52 | 0.0324 (12) | 0.0254 (11) | 0.0311 (12) | 0.0017 (9) | −0.0001 (9) | 0.0111 (9) |
C53 | 0.0313 (12) | 0.0350 (13) | 0.0328 (13) | −0.0033 (10) | −0.0034 (10) | 0.0120 (10) |
C54 | 0.0443 (14) | 0.0310 (13) | 0.0292 (12) | −0.0086 (11) | −0.0045 (10) | 0.0092 (10) |
C55 | 0.0533 (16) | 0.0230 (12) | 0.0349 (13) | 0.0004 (11) | −0.0038 (11) | 0.0107 (10) |
C56 | 0.0373 (13) | 0.0278 (12) | 0.0348 (13) | 0.0048 (10) | −0.0048 (10) | 0.0108 (10) |
C57 | 0.0357 (14) | 0.0471 (16) | 0.0395 (14) | −0.0077 (12) | −0.0102 (11) | 0.0169 (12) |
C58 | 0.0284 (12) | 0.0471 (15) | 0.0333 (13) | −0.0040 (11) | −0.0053 (10) | 0.0159 (11) |
C59 | 0.0323 (13) | 0.0568 (18) | 0.0431 (15) | 0.0142 (12) | 0.0114 (11) | 0.0229 (13) |
Si4 | 0.0249 (3) | 0.0245 (3) | 0.0293 (3) | 0.0035 (2) | 0.0011 (2) | 0.0099 (2) |
O10 | 0.0311 (9) | 0.0285 (9) | 0.0424 (10) | 0.0061 (7) | 0.0067 (7) | 0.0066 (8) |
O11 | 0.0466 (11) | 0.0474 (12) | 0.0350 (10) | 0.0095 (9) | −0.0056 (8) | 0.0090 (9) |
O12 | 0.0432 (11) | 0.0382 (11) | 0.0536 (13) | 0.0126 (9) | −0.0057 (9) | −0.0031 (9) |
C61 | 0.0282 (12) | 0.0368 (13) | 0.0282 (12) | 0.0000 (10) | −0.0038 (9) | 0.0140 (10) |
C62 | 0.0364 (14) | 0.0512 (17) | 0.0374 (14) | 0.0062 (12) | 0.0084 (11) | 0.0137 (12) |
C63 | 0.0418 (17) | 0.086 (3) | 0.0435 (17) | 0.0056 (16) | 0.0129 (13) | 0.0236 (17) |
C64 | 0.0438 (18) | 0.116 (3) | 0.057 (2) | −0.007 (2) | 0.0062 (15) | 0.057 (2) |
C65 | 0.057 (2) | 0.076 (3) | 0.088 (3) | −0.0177 (19) | −0.0115 (19) | 0.063 (2) |
C66 | 0.0387 (15) | 0.0477 (16) | 0.0567 (18) | 0.0007 (12) | −0.0031 (12) | 0.0302 (14) |
C67 | 0.0313 (12) | 0.0276 (12) | 0.0379 (13) | 0.0023 (9) | −0.0057 (10) | 0.0118 (10) |
C68 | 0.0501 (17) | 0.0327 (14) | 0.0554 (18) | 0.0102 (12) | −0.0214 (14) | −0.0037 (13) |
C69 | 0.0456 (16) | 0.0416 (16) | 0.0539 (18) | −0.0143 (13) | −0.0089 (13) | 0.0255 (14) |
C70 | 0.0335 (13) | 0.0389 (14) | 0.0396 (14) | 0.0041 (11) | −0.0049 (10) | 0.0163 (11) |
C71 | 0.0270 (11) | 0.0329 (12) | 0.0317 (12) | 0.0011 (9) | 0.0030 (9) | 0.0159 (10) |
C72 | 0.0439 (15) | 0.0268 (12) | 0.0442 (15) | −0.0015 (11) | −0.0118 (12) | 0.0105 (11) |
C73 | 0.0452 (16) | 0.0331 (14) | 0.0593 (18) | 0.0000 (12) | −0.0157 (13) | 0.0201 (13) |
C74 | 0.0634 (15) | 0.0634 (15) | 0.0342 (11) | 0.0145 (12) | −0.0040 (11) | 0.0236 (11) |
C75 | 0.0694 (14) | 0.0685 (14) | 0.0336 (10) | 0.0228 (12) | −0.0017 (10) | 0.0138 (10) |
C76 | 0.0658 (15) | 0.0639 (15) | 0.0313 (11) | 0.0271 (13) | 0.0032 (11) | 0.0123 (11) |
C77 | 0.0308 (13) | 0.0342 (13) | 0.0418 (14) | 0.0039 (10) | 0.0050 (11) | 0.0057 (11) |
C78 | 0.0293 (12) | 0.0333 (13) | 0.0321 (12) | 0.0047 (10) | −0.0002 (9) | 0.0075 (10) |
C79 | 0.0390 (16) | 0.0395 (16) | 0.067 (2) | 0.0071 (12) | 0.0073 (14) | −0.0022 (15) |
Si5 | 0.0245 (3) | 0.0329 (3) | 0.0247 (3) | 0.0080 (2) | 0.0042 (2) | 0.0101 (3) |
O13 | 0.0308 (8) | 0.0319 (9) | 0.0267 (8) | 0.0106 (7) | 0.0072 (6) | 0.0105 (7) |
O14 | 0.0331 (9) | 0.0502 (12) | 0.0344 (10) | 0.0140 (8) | −0.0044 (7) | −0.0010 (9) |
O15 | 0.0284 (8) | 0.0355 (9) | 0.0321 (9) | 0.0044 (7) | 0.0017 (7) | 0.0074 (7) |
C81 | 0.0240 (11) | 0.0388 (13) | 0.0296 (12) | 0.0059 (9) | 0.0039 (9) | 0.0133 (10) |
C82 | 0.0433 (15) | 0.0383 (14) | 0.0385 (14) | 0.0045 (11) | −0.0085 (11) | 0.0125 (12) |
C83 | 0.0512 (17) | 0.0504 (18) | 0.0544 (18) | 0.0046 (14) | −0.0135 (14) | 0.0258 (15) |
C84 | 0.0406 (15) | 0.0586 (19) | 0.0429 (16) | −0.0057 (13) | −0.0146 (12) | 0.0242 (14) |
C85 | 0.0422 (15) | 0.0476 (16) | 0.0369 (14) | −0.0097 (12) | −0.0082 (11) | 0.0151 (12) |
C86 | 0.0406 (14) | 0.0391 (14) | 0.0359 (14) | 0.0019 (11) | −0.0009 (11) | 0.0146 (11) |
C87 | 0.0296 (12) | 0.0538 (16) | 0.0360 (13) | 0.0066 (11) | 0.0073 (10) | 0.0228 (12) |
C88 | 0.067 (2) | 0.0526 (19) | 0.064 (2) | 0.0015 (16) | 0.0248 (17) | 0.0313 (17) |
C89 | 0.0387 (16) | 0.072 (2) | 0.0563 (19) | 0.0088 (15) | 0.0206 (14) | 0.0258 (17) |
C90 | 0.0514 (19) | 0.114 (3) | 0.054 (2) | −0.014 (2) | −0.0077 (15) | 0.059 (2) |
C91 | 0.0370 (13) | 0.0322 (12) | 0.0244 (11) | 0.0097 (10) | 0.0018 (9) | 0.0095 (9) |
C92 | 0.0370 (14) | 0.0321 (13) | 0.0411 (14) | 0.0069 (11) | 0.0035 (11) | 0.0105 (11) |
C93 | 0.0478 (17) | 0.0412 (16) | 0.0542 (18) | −0.0026 (13) | −0.0010 (14) | 0.0157 (14) |
C94 | 0.072 (2) | 0.0296 (14) | 0.0375 (15) | 0.0048 (13) | −0.0025 (14) | 0.0096 (12) |
C95 | 0.067 (2) | 0.0389 (15) | 0.0343 (14) | 0.0212 (14) | 0.0048 (13) | 0.0084 (12) |
C96 | 0.0440 (15) | 0.0420 (15) | 0.0319 (13) | 0.0142 (12) | 0.0044 (11) | 0.0091 (11) |
C97 | 0.0320 (12) | 0.0336 (13) | 0.0294 (12) | 0.0057 (10) | 0.0096 (9) | 0.0090 (10) |
C98 | 0.0268 (11) | 0.0354 (13) | 0.0289 (12) | 0.0064 (9) | 0.0007 (9) | 0.0050 (10) |
C99 | 0.0353 (13) | 0.0327 (13) | 0.0339 (13) | 0.0087 (10) | −0.0007 (10) | 0.0089 (10) |
Si6 | 0.0268 (3) | 0.0425 (4) | 0.0289 (3) | −0.0025 (3) | −0.0046 (2) | 0.0189 (3) |
C101 | 0.0301 (12) | 0.0456 (15) | 0.0301 (12) | −0.0013 (11) | −0.0060 (10) | 0.0147 (11) |
C102 | 0.0453 (16) | 0.0497 (17) | 0.0373 (14) | −0.0021 (13) | −0.0018 (12) | 0.0176 (13) |
C103 | 0.0563 (19) | 0.0453 (17) | 0.0553 (19) | 0.0060 (14) | −0.0012 (15) | 0.0184 (15) |
C104 | 0.0551 (19) | 0.0566 (19) | 0.0394 (16) | 0.0137 (15) | 0.0004 (13) | 0.0100 (14) |
C105 | 0.0438 (16) | 0.069 (2) | 0.0313 (14) | 0.0101 (14) | 0.0016 (11) | 0.0198 (14) |
C106 | 0.0359 (14) | 0.0545 (17) | 0.0350 (14) | 0.0041 (12) | −0.0033 (10) | 0.0219 (13) |
C107 | 0.0294 (12) | 0.0383 (14) | 0.0376 (14) | −0.0032 (10) | −0.0044 (10) | 0.0167 (11) |
C108 | 0.0403 (16) | 0.059 (2) | 0.060 (2) | −0.0150 (14) | −0.0040 (14) | 0.0302 (16) |
C109 | 0.0530 (18) | 0.0352 (15) | 0.0546 (18) | −0.0016 (13) | −0.0023 (14) | 0.0120 (13) |
C110 | 0.0326 (13) | 0.0540 (17) | 0.0365 (14) | −0.0010 (12) | −0.0092 (11) | 0.0156 (13) |
C111 | 0.0272 (11) | 0.0375 (13) | 0.0298 (12) | 0.0000 (10) | −0.0025 (9) | 0.0145 (10) |
C112 | 0.0355 (13) | 0.0501 (16) | 0.0290 (13) | −0.0060 (12) | −0.0027 (10) | 0.0125 (12) |
C113 | 0.0363 (14) | 0.0406 (15) | 0.0429 (15) | −0.0077 (11) | −0.0058 (11) | 0.0105 (12) |
C114 | 0.0316 (13) | 0.0334 (13) | 0.0484 (15) | −0.0007 (10) | 0.0059 (11) | 0.0178 (12) |
C115 | 0.0383 (13) | 0.0350 (13) | 0.0324 (13) | 0.0075 (10) | 0.0049 (10) | 0.0130 (11) |
C116 | 0.0311 (12) | 0.0314 (12) | 0.0290 (12) | 0.0014 (9) | −0.0024 (9) | 0.0095 (10) |
O16 | 0.0290 (12) | 0.0369 (19) | 0.0264 (16) | 0.0022 (15) | −0.0042 (13) | 0.0165 (14) |
O17 | 0.0252 (11) | 0.0349 (12) | 0.0261 (11) | −0.0027 (8) | −0.0015 (8) | 0.0115 (9) |
O18 | 0.0231 (10) | 0.0377 (14) | 0.0350 (12) | 0.0005 (9) | 0.0017 (8) | 0.0186 (11) |
C117 | 0.0289 (14) | 0.0359 (15) | 0.0274 (14) | 0.0055 (12) | −0.0004 (11) | 0.0146 (11) |
C118 | 0.0261 (15) | 0.0303 (16) | 0.0289 (16) | 0.0027 (12) | 0.0033 (11) | 0.0156 (13) |
C119 | 0.0275 (15) | 0.0389 (17) | 0.0289 (15) | 0.0058 (12) | 0.0020 (12) | 0.0175 (13) |
O216 | 0.043 (5) | 0.030 (6) | 0.030 (6) | −0.001 (5) | −0.007 (4) | 0.002 (4) |
O217 | 0.076 (7) | 0.051 (6) | 0.045 (6) | 0.005 (5) | −0.025 (5) | 0.014 (5) |
O218 | 0.047 (5) | 0.045 (6) | 0.043 (5) | 0.006 (4) | −0.002 (4) | 0.028 (5) |
C217 | 0.0289 (14) | 0.0359 (15) | 0.0274 (14) | 0.0055 (12) | −0.0004 (11) | 0.0146 (11) |
C218 | 0.039 (5) | 0.045 (5) | 0.028 (4) | −0.002 (5) | −0.011 (4) | 0.017 (4) |
C219 | 0.052 (6) | 0.040 (5) | 0.031 (5) | 0.004 (5) | −0.006 (4) | 0.012 (4) |
Si7 | 0.0257 (3) | 0.0223 (3) | 0.0379 (4) | 0.0030 (2) | 0.0022 (3) | 0.0128 (3) |
O19 | 0.0361 (10) | 0.0295 (9) | 0.0660 (13) | 0.0082 (8) | 0.0211 (9) | 0.0163 (9) |
O20 | 0.0547 (13) | 0.0593 (13) | 0.0384 (11) | 0.0080 (11) | −0.0042 (9) | 0.0165 (10) |
O21 | 0.0386 (10) | 0.0292 (9) | 0.0439 (10) | 0.0045 (7) | 0.0068 (8) | 0.0091 (8) |
C127 | 0.0348 (13) | 0.0359 (13) | 0.0397 (14) | −0.0042 (10) | −0.0083 (11) | 0.0191 (11) |
C128 | 0.066 (2) | 0.0455 (18) | 0.0492 (18) | −0.0072 (16) | −0.0015 (16) | −0.0029 (14) |
C129 | 0.0426 (17) | 0.079 (2) | 0.070 (2) | −0.0185 (16) | −0.0223 (15) | 0.054 (2) |
C130 | 0.0406 (15) | 0.0377 (15) | 0.0541 (17) | −0.0125 (12) | −0.0084 (12) | 0.0232 (13) |
C131 | 0.0288 (12) | 0.0255 (11) | 0.0385 (13) | 0.0027 (9) | 0.0012 (10) | 0.0120 (10) |
C132 | 0.0369 (14) | 0.0451 (15) | 0.0479 (16) | 0.0125 (12) | 0.0097 (12) | 0.0239 (13) |
C133 | 0.0359 (15) | 0.0602 (19) | 0.0523 (17) | 0.0120 (13) | 0.0145 (12) | 0.0242 (15) |
C134 | 0.0472 (17) | 0.0544 (18) | 0.0490 (17) | −0.0085 (14) | 0.0110 (13) | 0.0250 (15) |
C135 | 0.058 (2) | 0.0473 (18) | 0.078 (2) | 0.0012 (15) | 0.0125 (17) | 0.0401 (18) |
C136 | 0.0400 (15) | 0.0345 (14) | 0.070 (2) | 0.0073 (11) | 0.0125 (14) | 0.0294 (14) |
C137 | 0.0306 (12) | 0.0330 (13) | 0.0381 (13) | −0.0017 (10) | 0.0037 (10) | 0.0129 (11) |
C138 | 0.0314 (12) | 0.0363 (13) | 0.0368 (13) | 0.0013 (10) | 0.0029 (10) | 0.0129 (11) |
C139 | 0.0473 (15) | 0.0301 (13) | 0.0387 (14) | 0.0090 (11) | 0.0072 (11) | 0.0108 (11) |
C121 | 0.029 (2) | 0.027 (4) | 0.0323 (15) | 0.001 (3) | −0.0006 (12) | 0.0106 (19) |
C122 | 0.059 (3) | 0.044 (3) | 0.053 (3) | −0.010 (2) | −0.023 (3) | 0.026 (2) |
C123 | 0.078 (4) | 0.074 (4) | 0.062 (4) | −0.007 (3) | −0.020 (4) | 0.048 (3) |
C124 | 0.061 (6) | 0.088 (9) | 0.040 (4) | 0.021 (7) | −0.006 (3) | 0.031 (5) |
C125 | 0.042 (3) | 0.065 (3) | 0.039 (2) | 0.003 (2) | −0.012 (2) | −0.001 (2) |
C126 | 0.043 (3) | 0.043 (3) | 0.047 (3) | −0.004 (2) | −0.006 (2) | 0.005 (2) |
C161 | 0.029 (2) | 0.027 (4) | 0.0323 (15) | 0.001 (3) | −0.0006 (12) | 0.0106 (19) |
C162 | 0.045 (4) | 0.022 (3) | 0.035 (4) | 0.011 (3) | −0.011 (3) | 0.005 (3) |
C163 | 0.059 (5) | 0.016 (3) | 0.046 (5) | 0.008 (3) | −0.017 (4) | 0.005 (3) |
C164 | 0.052 (8) | 0.037 (7) | 0.054 (9) | 0.003 (6) | −0.020 (6) | 0.019 (6) |
C165 | 0.093 (8) | 0.029 (4) | 0.027 (4) | 0.006 (5) | −0.011 (4) | 0.013 (3) |
C166 | 0.049 (4) | 0.021 (3) | 0.022 (3) | 0.012 (3) | −0.001 (3) | 0.002 (2) |
Si8 | 0.0296 (3) | 0.0231 (3) | 0.0277 (3) | −0.0002 (2) | −0.0036 (2) | 0.0095 (2) |
C141 | 0.0297 (12) | 0.0297 (12) | 0.0288 (12) | 0.0027 (9) | −0.0011 (9) | 0.0115 (9) |
C142 | 0.0565 (17) | 0.0306 (13) | 0.0348 (13) | −0.0027 (12) | −0.0098 (12) | 0.0141 (11) |
C143 | 0.083 (2) | 0.0369 (15) | 0.0387 (15) | 0.0027 (15) | −0.0108 (15) | 0.0195 (13) |
C144 | 0.0528 (17) | 0.0505 (17) | 0.0319 (13) | 0.0145 (13) | −0.0069 (12) | 0.0148 (12) |
C145 | 0.0363 (14) | 0.0474 (16) | 0.0361 (14) | −0.0004 (12) | −0.0077 (11) | 0.0135 (12) |
C146 | 0.0368 (13) | 0.0368 (14) | 0.0395 (14) | −0.0047 (11) | −0.0061 (11) | 0.0183 (11) |
C147 | 0.0388 (13) | 0.0320 (13) | 0.0318 (12) | −0.0068 (10) | −0.0056 (10) | 0.0133 (10) |
C148 | 0.066 (2) | 0.0494 (18) | 0.0488 (18) | −0.0260 (16) | −0.0022 (15) | 0.0211 (15) |
C149 | 0.0450 (16) | 0.0549 (18) | 0.0457 (16) | 0.0009 (13) | 0.0123 (13) | 0.0224 (14) |
C150 | 0.0532 (18) | 0.061 (2) | 0.0429 (16) | −0.0001 (15) | −0.0053 (13) | 0.0320 (15) |
C151 | 0.0291 (11) | 0.0260 (11) | 0.0286 (11) | 0.0004 (9) | −0.0021 (9) | 0.0122 (9) |
C152 | 0.0305 (13) | 0.0308 (13) | 0.0513 (16) | 0.0032 (10) | 0.0018 (11) | 0.0131 (12) |
C153 | 0.0289 (13) | 0.0380 (15) | 0.0669 (19) | −0.0050 (11) | −0.0035 (12) | 0.0203 (14) |
C154 | 0.0446 (15) | 0.0314 (13) | 0.0426 (15) | −0.0121 (11) | −0.0096 (11) | 0.0165 (11) |
C155 | 0.0486 (15) | 0.0223 (11) | 0.0310 (12) | 0.0040 (10) | −0.0016 (10) | 0.0103 (10) |
C156 | 0.0309 (12) | 0.0292 (12) | 0.0297 (11) | 0.0026 (9) | −0.0016 (9) | 0.0114 (10) |
O22 | 0.0353 (18) | 0.0238 (12) | 0.0291 (13) | 0.0029 (12) | −0.0001 (10) | 0.0088 (8) |
C157 | 0.0247 (19) | 0.0318 (15) | 0.0384 (16) | 0.0017 (13) | 0.0043 (15) | 0.0112 (12) |
O23 | 0.0285 (10) | 0.0377 (11) | 0.0303 (10) | 0.0021 (8) | −0.0017 (8) | 0.0106 (9) |
C158 | 0.0237 (13) | 0.0323 (14) | 0.0275 (13) | 0.0055 (10) | 0.0043 (10) | 0.0086 (11) |
C159 | 0.0303 (15) | 0.0294 (14) | 0.0322 (15) | 0.0072 (11) | −0.0006 (12) | 0.0064 (12) |
O24 | 0.0302 (14) | 0.0282 (11) | 0.041 (2) | 0.0065 (9) | −0.0052 (14) | −0.0001 (12) |
O32 | 0.0353 (18) | 0.0238 (12) | 0.0291 (13) | 0.0029 (12) | −0.0001 (10) | 0.0088 (8) |
C257 | 0.033 (7) | 0.032 (6) | 0.032 (6) | 0.007 (6) | 0.005 (6) | 0.002 (6) |
O33 | 0.055 (9) | 0.065 (10) | 0.037 (8) | 0.033 (8) | 0.012 (7) | 0.006 (7) |
C258 | 0.038 (6) | 0.039 (6) | 0.039 (6) | 0.015 (5) | 0.008 (5) | 0.003 (5) |
C259 | 0.033 (7) | 0.044 (7) | 0.042 (7) | 0.013 (6) | −0.005 (6) | −0.002 (7) |
O34 | 0.0302 (14) | 0.0282 (11) | 0.041 (2) | 0.0065 (9) | −0.0052 (14) | −0.0001 (12) |
Si1—O1 | 1.6513 (17) | C86—H86 | 0.9500 |
Si1—C1 | 1.869 (2) | C87—C88 | 1.530 (5) |
Si1—C7 | 1.886 (2) | C87—C89 | 1.526 (4) |
Si1—C11 | 1.881 (2) | C87—C90 | 1.533 (4) |
O1—C17 | 1.428 (3) | C88—H88A | 0.9800 |
O2—H2 | 0.8400 | C88—H88B | 0.9800 |
O2—C18 | 1.429 (3) | C88—H88C | 0.9800 |
O3—H3A | 0.8400 | C89—H89A | 0.9800 |
O3—H3B | 0.8400 | C89—H89B | 0.9800 |
O3—C19 | 1.421 (3) | C89—H89C | 0.9800 |
C1—C2 | 1.396 (4) | C90—H90A | 0.9800 |
C1—C6 | 1.404 (3) | C90—H90B | 0.9800 |
C2—H2A | 0.9500 | C90—H90C | 0.9800 |
C2—C3 | 1.391 (4) | C91—C92 | 1.398 (4) |
C3—H3 | 0.9500 | C91—C96 | 1.402 (3) |
C3—C4 | 1.392 (5) | C92—H92 | 0.9500 |
C4—H4 | 0.9500 | C92—C93 | 1.383 (4) |
C4—C5 | 1.370 (5) | C93—H93 | 0.9500 |
C5—H5 | 0.9500 | C93—C94 | 1.386 (4) |
C5—C6 | 1.393 (4) | C94—H94 | 0.9500 |
C6—H6 | 0.9500 | C94—C95 | 1.375 (5) |
C7—C8 | 1.535 (3) | C95—H95 | 0.9500 |
C7—C9 | 1.540 (3) | C95—C96 | 1.380 (4) |
C7—C10 | 1.539 (3) | C96—H96 | 0.9500 |
C8—H8A | 0.9800 | C97—H97A | 0.9900 |
C8—H8B | 0.9800 | C97—H97B | 0.9900 |
C8—H8C | 0.9800 | C97—C98 | 1.509 (3) |
C9—H9A | 0.9800 | C98—H98 | 1.0000 |
C9—H9B | 0.9800 | C98—C99 | 1.516 (4) |
C9—H9C | 0.9800 | C99—H99A | 0.9900 |
C10—H10G | 0.9800 | C99—H99B | 0.9900 |
C10—H10H | 0.9800 | Si6—C101 | 1.866 (3) |
C10—H10I | 0.9800 | Si6—C107 | 1.884 (3) |
C11—C12 | 1.399 (3) | Si6—C111 | 1.880 (3) |
C11—C16 | 1.396 (3) | Si6—O16 | 1.667 (3) |
C12—H12 | 0.9500 | Si6—O216 | 1.578 (15) |
C12—C13 | 1.389 (4) | C101—C102 | 1.408 (4) |
C13—H13 | 0.9500 | C101—C106 | 1.409 (4) |
C13—C14 | 1.379 (4) | C102—H102 | 0.9500 |
C14—H14 | 0.9500 | C102—C103 | 1.373 (5) |
C14—C15 | 1.380 (4) | C103—H103 | 0.9500 |
C15—H15 | 0.9500 | C103—C104 | 1.393 (5) |
C15—C16 | 1.391 (3) | C104—H104 | 0.9500 |
C16—H16 | 0.9500 | C104—C105 | 1.373 (5) |
C17—H17A | 0.9900 | C105—H105 | 0.9500 |
C17—H17B | 0.9900 | C105—C106 | 1.386 (4) |
C17—C18 | 1.513 (3) | C106—H106 | 0.9500 |
C18—H18A | 1.0000 | C107—C108 | 1.537 (4) |
C18—C19 | 1.518 (4) | C107—C109 | 1.543 (4) |
C19—H19A | 0.9900 | C107—C110 | 1.535 (4) |
C19—H19B | 0.9900 | C108—H10A | 0.9800 |
Si2—O4 | 1.6392 (19) | C108—H10B | 0.9800 |
Si2—C21 | 1.873 (3) | C108—H10C | 0.9800 |
Si2—C27 | 1.892 (3) | C109—H10D | 0.9800 |
Si2—C31 | 1.876 (3) | C109—H10E | 0.9800 |
O4—C37 | 1.412 (3) | C109—H10F | 0.9800 |
O5—H5A | 0.8400 | C110—H11A | 0.9800 |
O5—C38 | 1.432 (3) | C110—H11B | 0.9800 |
O6—H6A | 0.8400 | C110—H11C | 0.9800 |
O6—C39 | 1.437 (3) | C111—C112 | 1.405 (4) |
C21—C22 | 1.412 (4) | C111—C116 | 1.398 (4) |
C21—C26 | 1.389 (4) | C112—H112 | 0.9500 |
C22—H22 | 0.9500 | C112—C113 | 1.392 (4) |
C22—C23 | 1.386 (4) | C113—H113 | 0.9500 |
C23—H23A | 0.9500 | C113—C114 | 1.385 (4) |
C23—C24 | 1.366 (5) | C114—H114 | 0.9500 |
C24—H24A | 0.9500 | C114—C115 | 1.384 (4) |
C24—C25 | 1.394 (4) | C115—H115 | 0.9500 |
C25—H25 | 0.9500 | C115—C116 | 1.384 (4) |
C25—C26 | 1.397 (4) | C116—H116 | 0.9500 |
C26—H26 | 0.9500 | O16—C117 | 1.419 (5) |
C27—C28 | 1.546 (4) | O17—H17 | 0.8400 |
C27—C29 | 1.527 (4) | O17—C118 | 1.439 (4) |
C27—C30 | 1.541 (4) | O18—H18 | 0.8400 |
C28—H28A | 0.9800 | O18—C119 | 1.438 (4) |
C28—H28B | 0.9800 | C117—H11D | 0.9900 |
C28—H28C | 0.9800 | C117—H11E | 0.9900 |
C29—H29A | 0.9800 | C117—C118 | 1.503 (4) |
C29—H29B | 0.9800 | C118—H118 | 1.0000 |
C29—H29C | 0.9800 | C118—C119 | 1.521 (5) |
C30—H30A | 0.9800 | C119—H11F | 0.9900 |
C30—H30B | 0.9800 | C119—H11G | 0.9900 |
C30—H30C | 0.9800 | O216—C217 | 1.400 (19) |
C31—C32 | 1.394 (4) | O217—H217 | 0.8400 |
C31—C36 | 1.397 (3) | O217—C218 | 1.391 (16) |
C32—H32 | 0.9500 | O218—H218 | 0.8400 |
C32—C33 | 1.383 (4) | O218—C219 | 1.467 (14) |
C33—H33A | 0.9500 | C217—H21A | 0.9900 |
C33—C34 | 1.382 (4) | C217—H21B | 0.9900 |
C34—H34A | 0.9500 | C217—C218 | 1.498 (19) |
C34—C35 | 1.381 (4) | C218—H21C | 1.0000 |
C35—H35 | 0.9500 | C218—C219 | 1.51 (2) |
C35—C36 | 1.388 (4) | C219—H21D | 0.9900 |
C36—H36 | 0.9500 | C219—H21E | 0.9900 |
C37—H37A | 0.9900 | Si7—O19 | 1.6418 (19) |
C37—H37B | 0.9900 | Si7—C127 | 1.886 (3) |
C37—C38 | 1.511 (4) | Si7—C131 | 1.867 (3) |
C38—H38 | 1.0000 | Si7—C121 | 1.853 (11) |
C38—C39 | 1.503 (4) | Si7—C161 | 1.93 (2) |
C39—H39A | 0.9900 | O19—C137 | 1.407 (3) |
C39—H39B | 0.9900 | O20—H20 | 0.8400 |
Si3—O7 | 1.6488 (18) | O20—C138 | 1.429 (3) |
Si3—C41 | 1.882 (3) | O21—H21 | 0.8400 |
Si3—C47 | 1.887 (3) | O21—C139 | 1.420 (3) |
Si3—C51 | 1.869 (2) | C127—C128 | 1.530 (4) |
O7—C57 | 1.421 (3) | C127—C129 | 1.544 (4) |
O8—H8 | 0.8400 | C127—C130 | 1.539 (4) |
O8—C58 | 1.444 (3) | C128—H12A | 0.9800 |
O9—H9 | 0.8400 | C128—H12B | 0.9800 |
O9—C59 | 1.429 (4) | C128—H12C | 0.9800 |
C41—C42 | 1.396 (4) | C129—H12D | 0.9800 |
C41—C46 | 1.398 (4) | C129—H12E | 0.9800 |
C42—H42 | 0.9500 | C129—H12F | 0.9800 |
C42—C43 | 1.397 (5) | C130—H13A | 0.9800 |
C43—H43 | 0.9500 | C130—H13B | 0.9800 |
C43—C44 | 1.376 (5) | C130—H13C | 0.9800 |
C44—H44 | 0.9500 | C131—C132 | 1.393 (4) |
C44—C45 | 1.373 (5) | C131—C136 | 1.391 (4) |
C45—H45 | 0.9500 | C132—H132 | 0.9500 |
C45—C46 | 1.394 (4) | C132—C133 | 1.383 (4) |
C46—H46 | 0.9500 | C133—H133 | 0.9500 |
C47—C48 | 1.540 (4) | C133—C134 | 1.378 (5) |
C47—C49 | 1.535 (5) | C134—H134 | 0.9500 |
C47—C50 | 1.539 (4) | C134—C135 | 1.376 (5) |
C48—H48A | 0.9800 | C135—H135 | 0.9500 |
C48—H48B | 0.9800 | C135—C136 | 1.387 (4) |
C48—H48C | 0.9800 | C136—H136 | 0.9500 |
C49—H49A | 0.9800 | C137—H13D | 0.9900 |
C49—H49B | 0.9800 | C137—H13E | 0.9900 |
C49—H49C | 0.9800 | C137—C138 | 1.514 (4) |
C50—H50A | 0.9800 | C138—H138 | 1.0000 |
C50—H50B | 0.9800 | C138—C139 | 1.501 (4) |
C50—H50C | 0.9800 | C139—H13F | 0.9900 |
C51—C52 | 1.400 (3) | C139—H13G | 0.9900 |
C51—C56 | 1.395 (3) | C121—C122 | 1.376 (13) |
C52—H52 | 0.9500 | C121—C126 | 1.387 (13) |
C52—C53 | 1.390 (3) | C122—H122 | 0.9500 |
C53—H53 | 0.9500 | C122—C123 | 1.397 (7) |
C53—C54 | 1.379 (4) | C123—H123 | 0.9500 |
C54—H54 | 0.9500 | C123—C124 | 1.335 (12) |
C54—C55 | 1.380 (4) | C124—H124 | 0.9500 |
C55—H55 | 0.9500 | C124—C125 | 1.374 (12) |
C55—C56 | 1.391 (4) | C125—H125 | 0.9500 |
C56—H56 | 0.9500 | C125—C126 | 1.408 (7) |
C57—H57A | 0.9900 | C126—H126 | 0.9500 |
C57—H57B | 0.9900 | C161—C162 | 1.394 (18) |
C57—C58 | 1.502 (4) | C161—C166 | 1.389 (17) |
C58—H58 | 1.0000 | C162—H162 | 0.9275 |
C58—C59 | 1.504 (4) | C162—C163 | 1.390 (9) |
C59—H59A | 0.9900 | C163—H163 | 0.9228 |
C59—H59B | 0.9900 | C163—C164 | 1.361 (17) |
Si4—O10 | 1.6341 (18) | C164—H164 | 0.9500 |
Si4—C61 | 1.868 (3) | C164—C165 | 1.356 (16) |
Si4—C67 | 1.884 (3) | C165—H165 | 0.9275 |
Si4—C71 | 1.873 (2) | C165—C166 | 1.401 (10) |
O10—C77 | 1.407 (3) | C166—H166 | 0.9235 |
O11—H11 | 0.8400 | Si8—C141 | 1.881 (2) |
O11—C78 | 1.422 (3) | Si8—C147 | 1.897 (3) |
O12—H12G | 0.8400 | Si8—C151 | 1.879 (2) |
O12—C79 | 1.433 (4) | Si8—O22 | 1.638 (3) |
C61—C62 | 1.405 (4) | Si8—O32 | 1.73 (2) |
C61—C66 | 1.388 (4) | C141—C142 | 1.390 (4) |
C62—H62 | 0.9500 | C141—C146 | 1.395 (4) |
C62—C63 | 1.380 (4) | C142—H142 | 0.9500 |
C63—H63 | 0.9500 | C142—C143 | 1.387 (4) |
C63—C64 | 1.375 (6) | C143—H143 | 0.9500 |
C64—H64 | 0.9500 | C143—C144 | 1.376 (5) |
C64—C65 | 1.366 (6) | C144—H144 | 0.9500 |
C65—H65 | 0.9500 | C144—C145 | 1.367 (4) |
C65—C66 | 1.404 (5) | C145—H145 | 0.9500 |
C66—H66 | 0.9500 | C145—C146 | 1.389 (4) |
C67—C68 | 1.535 (4) | C146—H146 | 0.9500 |
C67—C69 | 1.529 (4) | C147—C148 | 1.534 (4) |
C67—C70 | 1.542 (3) | C147—C149 | 1.528 (4) |
C68—H68A | 0.9800 | C147—C150 | 1.533 (4) |
C68—H68B | 0.9800 | C148—H14A | 0.9800 |
C68—H68C | 0.9800 | C148—H14B | 0.9800 |
C69—H69A | 0.9800 | C148—H14C | 0.9800 |
C69—H69B | 0.9800 | C149—H14D | 0.9800 |
C69—H69C | 0.9800 | C149—H14E | 0.9800 |
C70—H70A | 0.9800 | C149—H14F | 0.9800 |
C70—H70B | 0.9800 | C150—H15A | 0.9800 |
C70—H70C | 0.9800 | C150—H15B | 0.9800 |
C71—C72 | 1.399 (4) | C150—H15C | 0.9800 |
C71—C76 | 1.382 (4) | C151—C152 | 1.392 (4) |
C72—H72 | 0.9500 | C151—C156 | 1.404 (3) |
C72—C73 | 1.384 (4) | C152—H152 | 0.9500 |
C73—H73 | 0.9500 | C152—C153 | 1.397 (4) |
C73—C74 | 1.381 (5) | C153—H153 | 0.9500 |
C74—H74 | 0.9500 | C153—C154 | 1.367 (4) |
C74—C75 | 1.368 (5) | C154—H154 | 0.9500 |
C75—H75 | 0.9500 | C154—C155 | 1.381 (4) |
C75—C76 | 1.379 (5) | C155—H155 | 0.9500 |
C76—H76 | 0.9500 | C155—C156 | 1.390 (4) |
C77—H77A | 0.9900 | C156—H156 | 0.9500 |
C77—H77B | 0.9900 | O22—C157 | 1.420 (5) |
C77—C78 | 1.514 (4) | C157—H15D | 0.9900 |
C78—H78 | 1.0000 | C157—H15E | 0.9900 |
C78—C79 | 1.507 (4) | C157—C158 | 1.507 (5) |
C79—H79A | 0.9900 | O23—H23 | 0.8400 |
C79—H79B | 0.9900 | O23—C158 | 1.432 (3) |
Si5—O13 | 1.6474 (17) | C158—H158 | 1.0000 |
Si5—C81 | 1.874 (3) | C158—C159 | 1.517 (4) |
Si5—C87 | 1.895 (3) | C159—H15F | 0.9900 |
Si5—C91 | 1.876 (3) | C159—H15G | 0.9900 |
O13—C97 | 1.434 (3) | C159—O24 | 1.449 (4) |
O14—H14G | 0.8400 | O24—H24 | 0.8400 |
O14—C98 | 1.441 (3) | O32—C257 | 1.44 (2) |
O15—H15H | 0.8400 | C257—H25A | 0.9900 |
O15—C99 | 1.427 (3) | C257—H25B | 0.9900 |
C81—C82 | 1.398 (4) | C257—C258 | 1.52 (2) |
C81—C86 | 1.398 (4) | O33—H33 | 0.8400 |
C82—H82 | 0.9500 | O33—C258 | 1.43 (2) |
C82—C83 | 1.392 (4) | C258—H258 | 1.0000 |
C83—H83 | 0.9500 | C258—C259 | 1.47 (2) |
C83—C84 | 1.374 (5) | C259—H25C | 0.9900 |
C84—H84 | 0.9500 | C259—H25D | 0.9900 |
C84—C85 | 1.383 (4) | C259—O34 | 1.45 (2) |
C85—H85 | 0.9500 | O34—H34 | 1.01 (4) |
C85—C86 | 1.385 (4) | ||
O1—Si1—C1 | 107.86 (10) | C87—C88—H88B | 109.5 |
O1—Si1—C7 | 104.13 (10) | C87—C88—H88C | 109.5 |
O1—Si1—C11 | 109.02 (9) | H88A—C88—H88B | 109.5 |
C1—Si1—C7 | 110.88 (11) | H88A—C88—H88C | 109.5 |
C1—Si1—C11 | 109.11 (10) | H88B—C88—H88C | 109.5 |
C11—Si1—C7 | 115.49 (11) | C87—C89—H89A | 109.5 |
C17—O1—Si1 | 122.24 (15) | C87—C89—H89B | 109.5 |
C18—O2—H2 | 109.5 | C87—C89—H89C | 109.5 |
C19—O3—H3A | 109.5 | H89A—C89—H89B | 109.5 |
C19—O3—H3B | 109.5 | H89A—C89—H89C | 109.5 |
C2—C1—Si1 | 122.78 (19) | H89B—C89—H89C | 109.5 |
C2—C1—C6 | 117.2 (2) | C87—C90—H90A | 109.5 |
C6—C1—Si1 | 119.96 (19) | C87—C90—H90B | 109.5 |
C1—C2—H2A | 119.2 | C87—C90—H90C | 109.5 |
C3—C2—C1 | 121.6 (3) | H90A—C90—H90B | 109.5 |
C3—C2—H2A | 119.2 | H90A—C90—H90C | 109.5 |
C2—C3—H3 | 120.3 | H90B—C90—H90C | 109.5 |
C2—C3—C4 | 119.5 (3) | C92—C91—Si5 | 119.14 (19) |
C4—C3—H3 | 120.3 | C92—C91—C96 | 116.7 (2) |
C3—C4—H4 | 119.8 | C96—C91—Si5 | 124.2 (2) |
C5—C4—C3 | 120.4 (3) | C91—C92—H92 | 119.0 |
C5—C4—H4 | 119.8 | C93—C92—C91 | 122.0 (3) |
C4—C5—H5 | 120.0 | C93—C92—H92 | 119.0 |
C4—C5—C6 | 119.9 (3) | C92—C93—H93 | 120.1 |
C6—C5—H5 | 120.0 | C92—C93—C94 | 119.8 (3) |
C1—C6—H6 | 119.3 | C94—C93—H93 | 120.1 |
C5—C6—C1 | 121.4 (3) | C93—C94—H94 | 120.3 |
C5—C6—H6 | 119.3 | C95—C94—C93 | 119.4 (3) |
C8—C7—Si1 | 111.52 (16) | C95—C94—H94 | 120.3 |
C8—C7—C9 | 108.2 (2) | C94—C95—H95 | 119.7 |
C8—C7—C10 | 110.0 (2) | C94—C95—C96 | 120.7 (3) |
C9—C7—Si1 | 107.47 (16) | C96—C95—H95 | 119.7 |
C10—C7—Si1 | 111.49 (16) | C91—C96—H96 | 119.3 |
C10—C7—C9 | 108.0 (2) | C95—C96—C91 | 121.4 (3) |
C7—C8—H8A | 109.5 | C95—C96—H96 | 119.3 |
C7—C8—H8B | 109.5 | O13—C97—H97A | 110.0 |
C7—C8—H8C | 109.5 | O13—C97—H97B | 110.0 |
H8A—C8—H8B | 109.5 | O13—C97—C98 | 108.3 (2) |
H8A—C8—H8C | 109.5 | H97A—C97—H97B | 108.4 |
H8B—C8—H8C | 109.5 | C98—C97—H97A | 110.0 |
C7—C9—H9A | 109.5 | C98—C97—H97B | 110.0 |
C7—C9—H9B | 109.5 | O14—C98—C97 | 110.3 (2) |
C7—C9—H9C | 109.5 | O14—C98—H98 | 107.9 |
H9A—C9—H9B | 109.5 | O14—C98—C99 | 108.7 (2) |
H9A—C9—H9C | 109.5 | C97—C98—H98 | 107.9 |
H9B—C9—H9C | 109.5 | C97—C98—C99 | 113.9 (2) |
C7—C10—H10G | 109.5 | C99—C98—H98 | 107.9 |
C7—C10—H10H | 109.5 | O15—C99—C98 | 111.2 (2) |
C7—C10—H10I | 109.5 | O15—C99—H99A | 109.4 |
H10G—C10—H10H | 109.5 | O15—C99—H99B | 109.4 |
H10G—C10—H10I | 109.5 | C98—C99—H99A | 109.4 |
H10H—C10—H10I | 109.5 | C98—C99—H99B | 109.4 |
C12—C11—Si1 | 118.92 (18) | H99A—C99—H99B | 108.0 |
C16—C11—Si1 | 124.13 (18) | C101—Si6—C107 | 110.08 (12) |
C16—C11—C12 | 116.9 (2) | C101—Si6—C111 | 106.80 (12) |
C11—C12—H12 | 119.0 | C111—Si6—C107 | 115.81 (12) |
C13—C12—C11 | 122.1 (2) | O16—Si6—C101 | 112.65 (15) |
C13—C12—H12 | 119.0 | O16—Si6—C107 | 100.80 (15) |
C12—C13—H13 | 120.3 | O16—Si6—C111 | 110.80 (16) |
C14—C13—C12 | 119.5 (2) | O216—Si6—C101 | 97.3 (5) |
C14—C13—H13 | 120.3 | O216—Si6—C107 | 115.8 (5) |
C13—C14—H14 | 120.0 | O216—Si6—C111 | 109.1 (7) |
C13—C14—C15 | 120.0 (2) | C102—C101—Si6 | 122.0 (2) |
C15—C14—H14 | 120.0 | C102—C101—C106 | 116.7 (3) |
C14—C15—H15 | 119.9 | C106—C101—Si6 | 121.3 (2) |
C14—C15—C16 | 120.1 (2) | C101—C102—H102 | 119.2 |
C16—C15—H15 | 119.9 | C103—C102—C101 | 121.7 (3) |
C11—C16—H16 | 119.3 | C103—C102—H102 | 119.2 |
C15—C16—C11 | 121.4 (2) | C102—C103—H103 | 119.9 |
C15—C16—H16 | 119.3 | C102—C103—C104 | 120.2 (3) |
O1—C17—H17A | 109.8 | C104—C103—H103 | 119.9 |
O1—C17—H17B | 109.8 | C103—C104—H104 | 120.1 |
O1—C17—C18 | 109.33 (19) | C105—C104—C103 | 119.8 (3) |
H17A—C17—H17B | 108.3 | C105—C104—H104 | 120.1 |
C18—C17—H17A | 109.8 | C104—C105—H105 | 119.9 |
C18—C17—H17B | 109.8 | C104—C105—C106 | 120.2 (3) |
O2—C18—C17 | 108.8 (2) | C106—C105—H105 | 119.9 |
O2—C18—H18A | 108.4 | C101—C106—H106 | 119.3 |
O2—C18—C19 | 111.1 (2) | C105—C106—C101 | 121.5 (3) |
C17—C18—H18A | 108.4 | C105—C106—H106 | 119.3 |
C17—C18—C19 | 111.6 (2) | C108—C107—Si6 | 108.1 (2) |
C19—C18—H18A | 108.4 | C108—C107—C109 | 108.1 (2) |
O3—C19—C18 | 112.2 (2) | C109—C107—Si6 | 110.72 (19) |
O3—C19—H19A | 109.2 | C110—C107—Si6 | 111.22 (19) |
O3—C19—H19B | 109.2 | C110—C107—C108 | 108.4 (2) |
C18—C19—H19A | 109.2 | C110—C107—C109 | 110.2 (2) |
C18—C19—H19B | 109.2 | C107—C108—H10A | 109.5 |
H19A—C19—H19B | 107.9 | C107—C108—H10B | 109.5 |
O4—Si2—C21 | 111.21 (11) | C107—C108—H10C | 109.5 |
O4—Si2—C27 | 106.04 (13) | H10A—C108—H10B | 109.5 |
O4—Si2—C31 | 104.90 (11) | H10A—C108—H10C | 109.5 |
C21—Si2—C27 | 115.08 (12) | H10B—C108—H10C | 109.5 |
C21—Si2—C31 | 109.24 (11) | C107—C109—H10D | 109.5 |
C31—Si2—C27 | 109.86 (12) | C107—C109—H10E | 109.5 |
C37—O4—Si2 | 131.25 (18) | C107—C109—H10F | 109.5 |
C38—O5—H5A | 109.5 | H10D—C109—H10E | 109.5 |
C39—O6—H6A | 109.5 | H10D—C109—H10F | 109.5 |
C22—C21—Si2 | 124.1 (2) | H10E—C109—H10F | 109.5 |
C26—C21—Si2 | 118.71 (19) | C107—C110—H11A | 109.5 |
C26—C21—C22 | 117.1 (2) | C107—C110—H11B | 109.5 |
C21—C22—H22 | 119.2 | C107—C110—H11C | 109.5 |
C23—C22—C21 | 121.6 (3) | H11A—C110—H11B | 109.5 |
C23—C22—H22 | 119.2 | H11A—C110—H11C | 109.5 |
C22—C23—H23A | 120.0 | H11B—C110—H11C | 109.5 |
C24—C23—C22 | 120.0 (3) | C112—C111—Si6 | 118.69 (19) |
C24—C23—H23A | 120.0 | C116—C111—Si6 | 124.7 (2) |
C23—C24—H24A | 119.8 | C116—C111—C112 | 116.6 (2) |
C23—C24—C25 | 120.4 (3) | C111—C112—H112 | 119.0 |
C25—C24—H24A | 119.8 | C113—C112—C111 | 121.9 (3) |
C24—C25—H25 | 120.3 | C113—C112—H112 | 119.0 |
C24—C25—C26 | 119.5 (3) | C112—C113—H113 | 120.2 |
C26—C25—H25 | 120.3 | C114—C113—C112 | 119.7 (3) |
C21—C26—C25 | 121.4 (3) | C114—C113—H113 | 120.2 |
C21—C26—H26 | 119.3 | C113—C114—H114 | 120.2 |
C25—C26—H26 | 119.3 | C115—C114—C113 | 119.6 (2) |
C28—C27—Si2 | 111.3 (2) | C115—C114—H114 | 120.2 |
C29—C27—Si2 | 111.3 (2) | C114—C115—H115 | 119.8 |
C29—C27—C28 | 110.1 (3) | C116—C115—C114 | 120.4 (2) |
C29—C27—C30 | 108.8 (3) | C116—C115—H115 | 119.8 |
C30—C27—Si2 | 107.8 (2) | C111—C116—H116 | 119.1 |
C30—C27—C28 | 107.4 (2) | C115—C116—C111 | 121.8 (2) |
C27—C28—H28A | 109.5 | C115—C116—H116 | 119.1 |
C27—C28—H28B | 109.5 | C117—O16—Si6 | 129.2 (3) |
C27—C28—H28C | 109.5 | C118—O17—H17 | 109.5 |
H28A—C28—H28B | 109.5 | C119—O18—H18 | 109.5 |
H28A—C28—H28C | 109.5 | O16—C117—H11D | 109.6 |
H28B—C28—H28C | 109.5 | O16—C117—H11E | 109.6 |
C27—C29—H29A | 109.5 | O16—C117—C118 | 110.4 (3) |
C27—C29—H29B | 109.5 | H11D—C117—H11E | 108.1 |
C27—C29—H29C | 109.5 | C118—C117—H11D | 109.6 |
H29A—C29—H29B | 109.5 | C118—C117—H11E | 109.6 |
H29A—C29—H29C | 109.5 | O17—C118—C117 | 109.3 (2) |
H29B—C29—H29C | 109.5 | O17—C118—H118 | 107.8 |
C27—C30—H30A | 109.5 | O17—C118—C119 | 110.0 (3) |
C27—C30—H30B | 109.5 | C117—C118—H118 | 107.8 |
C27—C30—H30C | 109.5 | C117—C118—C119 | 113.9 (3) |
H30A—C30—H30B | 109.5 | C119—C118—H118 | 107.8 |
H30A—C30—H30C | 109.5 | O18—C119—C118 | 109.3 (3) |
H30B—C30—H30C | 109.5 | O18—C119—H11F | 109.8 |
C32—C31—Si2 | 123.29 (18) | O18—C119—H11G | 109.8 |
C32—C31—C36 | 117.0 (2) | C118—C119—H11F | 109.8 |
C36—C31—Si2 | 119.66 (19) | C118—C119—H11G | 109.8 |
C31—C32—H32 | 119.3 | H11F—C119—H11G | 108.3 |
C33—C32—C31 | 121.4 (2) | C217—O216—Si6 | 131.8 (12) |
C33—C32—H32 | 119.3 | C218—O217—H217 | 109.5 |
C32—C33—H33A | 119.7 | C219—O218—H218 | 109.5 |
C34—C33—C32 | 120.6 (3) | O216—C217—H21A | 110.1 |
C34—C33—H33A | 119.7 | O216—C217—H21B | 110.1 |
C33—C34—H34A | 120.4 | O216—C217—C218 | 108.2 (12) |
C35—C34—C33 | 119.2 (2) | H21A—C217—H21B | 108.4 |
C35—C34—H34A | 120.4 | C218—C217—H21A | 110.1 |
C34—C35—H35 | 120.0 | C218—C217—H21B | 110.1 |
C34—C35—C36 | 120.0 (3) | O217—C218—C217 | 114.3 (14) |
C36—C35—H35 | 120.0 | O217—C218—H21C | 107.6 |
C31—C36—H36 | 119.2 | O217—C218—C219 | 111.0 (11) |
C35—C36—C31 | 121.7 (3) | C217—C218—H21C | 107.6 |
C35—C36—H36 | 119.2 | C217—C218—C219 | 108.5 (11) |
O4—C37—H37A | 109.7 | C219—C218—H21C | 107.6 |
O4—C37—H37B | 109.7 | O218—C219—C218 | 113.6 (11) |
O4—C37—C38 | 109.9 (2) | O218—C219—H21D | 108.9 |
H37A—C37—H37B | 108.2 | O218—C219—H21E | 108.9 |
C38—C37—H37A | 109.7 | C218—C219—H21D | 108.9 |
C38—C37—H37B | 109.7 | C218—C219—H21E | 108.9 |
O5—C38—C37 | 106.9 (2) | H21D—C219—H21E | 107.7 |
O5—C38—H38 | 109.0 | O19—Si7—C127 | 112.72 (12) |
O5—C38—C39 | 111.5 (2) | O19—Si7—C131 | 103.08 (10) |
C37—C38—H38 | 109.0 | O19—Si7—C121 | 107.4 (3) |
C39—C38—C37 | 111.3 (3) | O19—Si7—C161 | 111.5 (5) |
C39—C38—H38 | 109.0 | C127—Si7—C161 | 108.8 (8) |
O6—C39—C38 | 109.7 (2) | C131—Si7—C127 | 109.51 (12) |
O6—C39—H39A | 109.7 | C131—Si7—C161 | 111.2 (11) |
O6—C39—H39B | 109.7 | C121—Si7—C127 | 115.4 (4) |
C38—C39—H39A | 109.7 | C121—Si7—C131 | 108.0 (6) |
C38—C39—H39B | 109.7 | C137—O19—Si7 | 132.15 (17) |
H39A—C39—H39B | 108.2 | C138—O20—H20 | 109.5 |
O7—Si3—C41 | 110.06 (10) | C139—O21—H21 | 109.5 |
O7—Si3—C47 | 110.64 (12) | C128—C127—Si7 | 111.0 (2) |
O7—Si3—C51 | 103.04 (10) | C128—C127—C129 | 108.2 (3) |
C41—Si3—C47 | 114.59 (12) | C128—C127—C130 | 108.7 (2) |
C51—Si3—C41 | 108.23 (11) | C129—C127—Si7 | 107.4 (2) |
C51—Si3—C47 | 109.62 (11) | C130—C127—Si7 | 112.86 (19) |
C57—O7—Si3 | 123.53 (18) | C130—C127—C129 | 108.5 (2) |
C58—O8—H8 | 109.5 | C127—C128—H12A | 109.5 |
C59—O9—H9 | 109.5 | C127—C128—H12B | 109.5 |
C42—C41—Si3 | 125.7 (2) | C127—C128—H12C | 109.5 |
C42—C41—C46 | 116.9 (2) | H12A—C128—H12B | 109.5 |
C46—C41—Si3 | 117.33 (18) | H12A—C128—H12C | 109.5 |
C41—C42—H42 | 119.5 | H12B—C128—H12C | 109.5 |
C41—C42—C43 | 121.0 (3) | C127—C129—H12D | 109.5 |
C43—C42—H42 | 119.5 | C127—C129—H12E | 109.5 |
C42—C43—H43 | 119.7 | C127—C129—H12F | 109.5 |
C44—C43—C42 | 120.6 (3) | H12D—C129—H12E | 109.5 |
C44—C43—H43 | 119.7 | H12D—C129—H12F | 109.5 |
C43—C44—H44 | 120.2 | H12E—C129—H12F | 109.5 |
C45—C44—C43 | 119.7 (3) | C127—C130—H13A | 109.5 |
C45—C44—H44 | 120.2 | C127—C130—H13B | 109.5 |
C44—C45—H45 | 120.1 | C127—C130—H13C | 109.5 |
C44—C45—C46 | 119.9 (3) | H13A—C130—H13B | 109.5 |
C46—C45—H45 | 120.1 | H13A—C130—H13C | 109.5 |
C41—C46—H46 | 119.1 | H13B—C130—H13C | 109.5 |
C45—C46—C41 | 121.9 (3) | C132—C131—Si7 | 121.33 (19) |
C45—C46—H46 | 119.1 | C136—C131—Si7 | 121.6 (2) |
C48—C47—Si3 | 107.4 (2) | C136—C131—C132 | 117.0 (2) |
C48—C47—C50 | 107.7 (3) | C131—C132—H132 | 119.1 |
C49—C47—Si3 | 109.6 (2) | C133—C132—C131 | 121.9 (3) |
C49—C47—C48 | 109.7 (3) | C133—C132—H132 | 119.1 |
C49—C47—C50 | 108.8 (3) | C132—C133—H133 | 120.0 |
C50—C47—Si3 | 113.6 (2) | C134—C133—C132 | 120.0 (3) |
C47—C48—H48A | 109.5 | C134—C133—H133 | 120.0 |
C47—C48—H48B | 109.5 | C133—C134—H134 | 120.3 |
C47—C48—H48C | 109.5 | C135—C134—C133 | 119.4 (3) |
H48A—C48—H48B | 109.5 | C135—C134—H134 | 120.3 |
H48A—C48—H48C | 109.5 | C134—C135—H135 | 119.7 |
H48B—C48—H48C | 109.5 | C134—C135—C136 | 120.5 (3) |
C47—C49—H49A | 109.5 | C136—C135—H135 | 119.7 |
C47—C49—H49B | 109.5 | C131—C136—H136 | 119.4 |
C47—C49—H49C | 109.5 | C135—C136—C131 | 121.2 (3) |
H49A—C49—H49B | 109.5 | C135—C136—H136 | 119.4 |
H49A—C49—H49C | 109.5 | O19—C137—H13D | 109.5 |
H49B—C49—H49C | 109.5 | O19—C137—H13E | 109.5 |
C47—C50—H50A | 109.5 | O19—C137—C138 | 110.5 (2) |
C47—C50—H50B | 109.5 | H13D—C137—H13E | 108.1 |
C47—C50—H50C | 109.5 | C138—C137—H13D | 109.5 |
H50A—C50—H50B | 109.5 | C138—C137—H13E | 109.5 |
H50A—C50—H50C | 109.5 | O20—C138—C137 | 113.3 (2) |
H50B—C50—H50C | 109.5 | O20—C138—H138 | 106.6 |
C52—C51—Si3 | 121.94 (18) | O20—C138—C139 | 112.9 (2) |
C56—C51—Si3 | 120.62 (18) | C137—C138—H138 | 106.6 |
C56—C51—C52 | 117.4 (2) | C139—C138—C137 | 110.4 (2) |
C51—C52—H52 | 119.4 | C139—C138—H138 | 106.6 |
C53—C52—C51 | 121.2 (2) | O21—C139—C138 | 113.1 (2) |
C53—C52—H52 | 119.4 | O21—C139—H13F | 109.0 |
C52—C53—H53 | 120.1 | O21—C139—H13G | 109.0 |
C54—C53—C52 | 119.9 (2) | C138—C139—H13F | 109.0 |
C54—C53—H53 | 120.1 | C138—C139—H13G | 109.0 |
C53—C54—H54 | 119.9 | H13F—C139—H13G | 107.8 |
C53—C54—C55 | 120.2 (2) | C122—C121—Si7 | 125.0 (9) |
C55—C54—H54 | 119.9 | C122—C121—C126 | 117.0 (8) |
C54—C55—H55 | 120.1 | C126—C121—Si7 | 118.0 (8) |
C54—C55—C56 | 119.7 (2) | C121—C122—H122 | 119.0 |
C56—C55—H55 | 120.1 | C121—C122—C123 | 122.1 (7) |
C51—C56—H56 | 119.3 | C123—C122—H122 | 119.0 |
C55—C56—C51 | 121.4 (2) | C122—C123—H123 | 119.6 |
C55—C56—H56 | 119.3 | C124—C123—C122 | 120.8 (7) |
O7—C57—H57A | 109.5 | C124—C123—H123 | 119.6 |
O7—C57—H57B | 109.5 | C123—C124—H124 | 120.6 |
O7—C57—C58 | 110.7 (2) | C123—C124—C125 | 118.9 (8) |
H57A—C57—H57B | 108.1 | C125—C124—H124 | 120.6 |
C58—C57—H57A | 109.5 | C124—C125—H125 | 119.4 |
C58—C57—H57B | 109.5 | C124—C125—C126 | 121.2 (6) |
O8—C58—C57 | 108.8 (2) | C126—C125—H125 | 119.4 |
O8—C58—H58 | 108.4 | C121—C126—C125 | 119.9 (6) |
O8—C58—C59 | 111.2 (2) | C121—C126—H126 | 120.0 |
C57—C58—H58 | 108.4 | C125—C126—H126 | 120.0 |
C57—C58—C59 | 111.5 (2) | C162—C161—Si7 | 122.8 (13) |
C59—C58—H58 | 108.4 | C166—C161—Si7 | 118.9 (11) |
O9—C59—C58 | 110.4 (2) | C166—C161—C162 | 117.6 (15) |
O9—C59—H59A | 109.6 | C161—C162—H162 | 119.4 |
O9—C59—H59B | 109.6 | C163—C162—C161 | 120.1 (10) |
C58—C59—H59A | 109.6 | C163—C162—H162 | 120.4 |
C58—C59—H59B | 109.6 | C162—C163—H163 | 120.3 |
H59A—C59—H59B | 108.1 | C164—C163—C162 | 121.6 (10) |
O10—Si4—C61 | 101.57 (11) | C164—C163—H163 | 118.0 |
O10—Si4—C67 | 110.92 (11) | C163—C164—H164 | 120.4 |
O10—Si4—C71 | 109.34 (11) | C165—C164—C163 | 119.1 (15) |
C61—Si4—C67 | 111.91 (12) | C165—C164—H164 | 120.4 |
C61—Si4—C71 | 107.76 (11) | C164—C165—H165 | 119.9 |
C71—Si4—C67 | 114.51 (11) | C164—C165—C166 | 120.8 (10) |
C77—O10—Si4 | 135.04 (18) | C166—C165—H165 | 119.3 |
C78—O11—H11 | 109.5 | C161—C166—C165 | 120.6 (10) |
C79—O12—H12G | 109.5 | C161—C166—H166 | 120.9 |
C62—C61—Si4 | 121.6 (2) | C165—C166—H166 | 118.4 |
C66—C61—Si4 | 121.0 (2) | C141—Si8—C147 | 115.86 (11) |
C66—C61—C62 | 117.2 (3) | C151—Si8—C141 | 110.26 (11) |
C61—C62—H62 | 119.2 | C151—Si8—C147 | 108.95 (11) |
C63—C62—C61 | 121.7 (3) | O22—Si8—C141 | 109.4 (2) |
C63—C62—H62 | 119.2 | O22—Si8—C147 | 102.70 (14) |
C62—C63—H63 | 120.1 | O22—Si8—C151 | 109.29 (17) |
C64—C63—C62 | 119.8 (3) | O32—Si8—C141 | 107.4 (14) |
C64—C63—H63 | 120.1 | O32—Si8—C147 | 112.0 (11) |
C63—C64—H64 | 119.8 | O32—Si8—C151 | 101.4 (13) |
C65—C64—C63 | 120.4 (3) | C142—C141—Si8 | 121.35 (19) |
C65—C64—H64 | 119.8 | C142—C141—C146 | 116.6 (2) |
C64—C65—H65 | 120.0 | C146—C141—Si8 | 121.89 (19) |
C64—C65—C66 | 120.0 (3) | C141—C142—H142 | 119.2 |
C66—C65—H65 | 120.0 | C143—C142—C141 | 121.5 (3) |
C61—C66—C65 | 121.0 (3) | C143—C142—H142 | 119.2 |
C61—C66—H66 | 119.5 | C142—C143—H143 | 119.7 |
C65—C66—H66 | 119.5 | C144—C143—C142 | 120.5 (3) |
C68—C67—Si4 | 111.97 (18) | C144—C143—H143 | 119.7 |
C68—C67—C70 | 108.0 (2) | C143—C144—H144 | 120.4 |
C69—C67—Si4 | 110.89 (19) | C145—C144—C143 | 119.2 (3) |
C69—C67—C68 | 109.1 (2) | C145—C144—H144 | 120.4 |
C69—C67—C70 | 110.0 (2) | C144—C145—H145 | 119.8 |
C70—C67—Si4 | 106.87 (17) | C144—C145—C146 | 120.4 (3) |
C67—C68—H68A | 109.5 | C146—C145—H145 | 119.8 |
C67—C68—H68B | 109.5 | C141—C146—H146 | 119.2 |
C67—C68—H68C | 109.5 | C145—C146—C141 | 121.6 (3) |
H68A—C68—H68B | 109.5 | C145—C146—H146 | 119.2 |
H68A—C68—H68C | 109.5 | C148—C147—Si8 | 111.54 (19) |
H68B—C68—H68C | 109.5 | C149—C147—Si8 | 111.03 (18) |
C67—C69—H69A | 109.5 | C149—C147—C148 | 108.8 (3) |
C67—C69—H69B | 109.5 | C149—C147—C150 | 109.0 (2) |
C67—C69—H69C | 109.5 | C150—C147—Si8 | 107.82 (19) |
H69A—C69—H69B | 109.5 | C150—C147—C148 | 108.5 (2) |
H69A—C69—H69C | 109.5 | C147—C148—H14A | 109.5 |
H69B—C69—H69C | 109.5 | C147—C148—H14B | 109.5 |
C67—C70—H70A | 109.5 | C147—C148—H14C | 109.5 |
C67—C70—H70B | 109.5 | H14A—C148—H14B | 109.5 |
C67—C70—H70C | 109.5 | H14A—C148—H14C | 109.5 |
H70A—C70—H70B | 109.5 | H14B—C148—H14C | 109.5 |
H70A—C70—H70C | 109.5 | C147—C149—H14D | 109.5 |
H70B—C70—H70C | 109.5 | C147—C149—H14E | 109.5 |
C72—C71—Si4 | 123.8 (2) | C147—C149—H14F | 109.5 |
C76—C71—Si4 | 119.5 (2) | H14D—C149—H14E | 109.5 |
C76—C71—C72 | 116.3 (2) | H14D—C149—H14F | 109.5 |
C71—C72—H72 | 118.9 | H14E—C149—H14F | 109.5 |
C73—C72—C71 | 122.2 (3) | C147—C150—H15A | 109.5 |
C73—C72—H72 | 118.9 | C147—C150—H15B | 109.5 |
C72—C73—H73 | 120.2 | C147—C150—H15C | 109.5 |
C74—C73—C72 | 119.7 (3) | H15A—C150—H15B | 109.5 |
C74—C73—H73 | 120.2 | H15A—C150—H15C | 109.5 |
C73—C74—H74 | 120.6 | H15B—C150—H15C | 109.5 |
C75—C74—C73 | 118.9 (3) | C152—C151—Si8 | 119.24 (19) |
C75—C74—H74 | 120.6 | C152—C151—C156 | 116.8 (2) |
C74—C75—H75 | 119.4 | C156—C151—Si8 | 123.78 (18) |
C74—C75—C76 | 121.3 (3) | C151—C152—H152 | 119.1 |
C76—C75—H75 | 119.4 | C151—C152—C153 | 121.7 (2) |
C71—C76—H76 | 119.2 | C153—C152—H152 | 119.1 |
C75—C76—C71 | 121.6 (3) | C152—C153—H153 | 120.0 |
C75—C76—H76 | 119.2 | C154—C153—C152 | 120.0 (3) |
O10—C77—H77A | 110.3 | C154—C153—H153 | 120.0 |
O10—C77—H77B | 110.3 | C153—C154—H154 | 120.1 |
O10—C77—C78 | 107.3 (2) | C153—C154—C155 | 119.9 (2) |
H77A—C77—H77B | 108.5 | C155—C154—H154 | 120.1 |
C78—C77—H77A | 110.3 | C154—C155—H155 | 119.9 |
C78—C77—H77B | 110.3 | C154—C155—C156 | 120.2 (2) |
O11—C78—C77 | 110.1 (2) | C156—C155—H155 | 119.9 |
O11—C78—H78 | 109.2 | C151—C156—H156 | 119.4 |
O11—C78—C79 | 107.1 (2) | C155—C156—C151 | 121.3 (2) |
C77—C78—H78 | 109.2 | C155—C156—H156 | 119.4 |
C79—C78—C77 | 112.0 (2) | C157—O22—Si8 | 124.8 (3) |
C79—C78—H78 | 109.2 | O22—C157—H15D | 109.7 |
O12—C79—C78 | 109.9 (3) | O22—C157—H15E | 109.7 |
O12—C79—H79A | 109.7 | O22—C157—C158 | 109.8 (3) |
O12—C79—H79B | 109.7 | H15D—C157—H15E | 108.2 |
C78—C79—H79A | 109.7 | C158—C157—H15D | 109.7 |
C78—C79—H79B | 109.7 | C158—C157—H15E | 109.7 |
H79A—C79—H79B | 108.2 | C158—O23—H23 | 109.5 |
O13—Si5—C81 | 110.14 (10) | C157—C158—H158 | 108.7 |
O13—Si5—C87 | 104.69 (11) | C157—C158—C159 | 113.0 (3) |
O13—Si5—C91 | 108.45 (11) | O23—C158—C157 | 110.1 (2) |
C81—Si5—C87 | 112.28 (12) | O23—C158—H158 | 108.7 |
C81—Si5—C91 | 109.87 (12) | O23—C158—C159 | 107.4 (2) |
C91—Si5—C87 | 111.23 (12) | C159—C158—H158 | 108.7 |
C97—O13—Si5 | 125.71 (15) | C158—C159—H15F | 109.7 |
C98—O14—H14G | 109.5 | C158—C159—H15G | 109.7 |
C99—O15—H15H | 109.5 | H15F—C159—H15G | 108.2 |
C82—C81—Si5 | 122.1 (2) | O24—C159—C158 | 110.0 (3) |
C86—C81—Si5 | 120.9 (2) | O24—C159—H15F | 109.7 |
C86—C81—C82 | 117.0 (2) | O24—C159—H15G | 109.7 |
C81—C82—H82 | 119.4 | C159—O24—H24 | 109.5 |
C83—C82—C81 | 121.2 (3) | C257—O32—Si8 | 139 (3) |
C83—C82—H82 | 119.4 | O32—C257—H25A | 108.1 |
C82—C83—H83 | 119.9 | O32—C257—H25B | 108.1 |
C84—C83—C82 | 120.3 (3) | O32—C257—C258 | 117 (2) |
C84—C83—H83 | 119.9 | H25A—C257—H25B | 107.3 |
C83—C84—H84 | 120.1 | C258—C257—H25A | 108.1 |
C83—C84—C85 | 119.9 (3) | C258—C257—H25B | 108.1 |
C85—C84—H84 | 120.1 | C258—O33—H33 | 109.5 |
C84—C85—H85 | 120.1 | C257—C258—H258 | 108.5 |
C84—C85—C86 | 119.8 (3) | O33—C258—C257 | 110.6 (19) |
C86—C85—H85 | 120.1 | O33—C258—H258 | 108.5 |
C81—C86—H86 | 119.1 | O33—C258—C259 | 107.2 (18) |
C85—C86—C81 | 121.9 (3) | C259—C258—C257 | 113.4 (19) |
C85—C86—H86 | 119.1 | C259—C258—H258 | 108.5 |
C88—C87—Si5 | 110.93 (19) | C258—C259—H25C | 109.1 |
C88—C87—C90 | 109.0 (3) | C258—C259—H25D | 109.1 |
C89—C87—Si5 | 110.1 (2) | H25C—C259—H25D | 107.8 |
C89—C87—C88 | 108.1 (3) | O34—C259—C258 | 112 (2) |
C89—C87—C90 | 108.7 (3) | O34—C259—H25C | 109.1 |
C90—C87—Si5 | 110.0 (2) | O34—C259—H25D | 109.1 |
C87—C88—H88A | 109.5 | C259—O34—H34 | 88 (3) |
Si1—O1—C17—C18 | 167.75 (17) | C82—C81—C86—C85 | −0.8 (4) |
Si1—C1—C2—C3 | 177.2 (3) | C82—C83—C84—C85 | −1.6 (5) |
Si1—C1—C6—C5 | −177.56 (19) | C83—C84—C85—C86 | 1.2 (5) |
Si1—C11—C12—C13 | 176.1 (2) | C84—C85—C86—C81 | 0.0 (5) |
Si1—C11—C16—C15 | −176.55 (18) | C86—C81—C82—C83 | 0.4 (4) |
O1—Si1—C1—C2 | 157.6 (2) | C87—Si5—O13—C97 | 154.7 (2) |
O1—Si1—C1—C6 | −24.6 (2) | C87—Si5—C81—C82 | 117.4 (2) |
O1—Si1—C7—C8 | −50.27 (19) | C87—Si5—C81—C86 | −62.1 (2) |
O1—Si1—C7—C9 | 68.17 (18) | C87—Si5—C91—C92 | 115.1 (2) |
O1—Si1—C7—C10 | −173.62 (17) | C87—Si5—C91—C96 | −62.9 (2) |
O1—Si1—C11—C12 | −74.4 (2) | C91—Si5—O13—C97 | −86.4 (2) |
O1—Si1—C11—C16 | 102.0 (2) | C91—Si5—C81—C82 | −7.0 (3) |
O1—C17—C18—O2 | −67.1 (3) | C91—Si5—C81—C86 | 173.6 (2) |
O1—C17—C18—C19 | 55.9 (3) | C91—Si5—C87—C88 | −164.3 (2) |
O2—C18—C19—O3 | −56.6 (3) | C91—Si5—C87—C89 | 76.0 (2) |
C1—Si1—O1—C17 | −69.9 (2) | C91—Si5—C87—C90 | −43.7 (3) |
C1—Si1—C7—C8 | −166.02 (17) | C91—C92—C93—C94 | −0.3 (5) |
C1—Si1—C7—C9 | −47.58 (19) | C92—C91—C96—C95 | −0.7 (4) |
C1—Si1—C7—C10 | 70.63 (19) | C92—C93—C94—C95 | −0.1 (5) |
C1—Si1—C11—C12 | 43.1 (2) | C93—C94—C95—C96 | 0.1 (5) |
C1—Si1—C11—C16 | −140.4 (2) | C94—C95—C96—C91 | 0.3 (4) |
C1—C2—C3—C4 | 0.7 (5) | C96—C91—C92—C93 | 0.7 (4) |
C2—C1—C6—C5 | 0.4 (4) | C97—C98—C99—O15 | 62.3 (3) |
C2—C3—C4—C5 | −0.4 (6) | Si6—C101—C102—C103 | −177.0 (2) |
C3—C4—C5—C6 | 0.0 (5) | Si6—C101—C106—C105 | 176.8 (2) |
C4—C5—C6—C1 | 0.0 (4) | Si6—C111—C112—C113 | −179.3 (2) |
C6—C1—C2—C3 | −0.7 (4) | Si6—C111—C116—C115 | 179.5 (2) |
C7—Si1—O1—C17 | 172.24 (18) | Si6—O16—C117—C118 | −92.6 (4) |
C7—Si1—C1—C2 | −89.0 (2) | Si6—O216—C217—C218 | −163.6 (14) |
C7—Si1—C1—C6 | 88.8 (2) | C101—Si6—C107—C108 | 54.5 (2) |
C7—Si1—C11—C12 | 168.82 (18) | C101—Si6—C107—C109 | 172.7 (2) |
C7—Si1—C11—C16 | −14.7 (2) | C101—Si6—C107—C110 | −64.4 (2) |
C11—Si1—O1—C17 | 48.5 (2) | C101—Si6—C111—C112 | −47.3 (2) |
C11—Si1—C1—C2 | 39.3 (3) | C101—Si6—C111—C116 | 133.9 (2) |
C11—Si1—C1—C6 | −142.91 (19) | C101—Si6—O16—C117 | 90.8 (3) |
C11—Si1—C7—C8 | 69.22 (19) | C101—Si6—O216—C217 | 74.5 (16) |
C11—Si1—C7—C9 | −172.34 (16) | C101—C102—C103—C104 | 0.0 (5) |
C11—Si1—C7—C10 | −54.1 (2) | C102—C101—C106—C105 | −0.7 (4) |
C11—C12—C13—C14 | 1.0 (4) | C102—C103—C104—C105 | −0.3 (5) |
C12—C11—C16—C15 | 0.0 (3) | C103—C104—C105—C106 | 0.1 (5) |
C12—C13—C14—C15 | −0.6 (4) | C104—C105—C106—C101 | 0.4 (4) |
C13—C14—C15—C16 | 0.0 (4) | C106—C101—C102—C103 | 0.4 (4) |
C14—C15—C16—C11 | 0.4 (4) | C107—Si6—C101—C102 | 95.3 (2) |
C16—C11—C12—C13 | −0.6 (4) | C107—Si6—C101—C106 | −82.0 (2) |
C17—C18—C19—O3 | −178.2 (2) | C107—Si6—C111—C112 | −170.2 (2) |
Si2—O4—C37—C38 | −132.7 (2) | C107—Si6—C111—C116 | 10.9 (3) |
Si2—C21—C22—C23 | 178.1 (2) | C107—Si6—O16—C117 | −152.0 (3) |
Si2—C21—C26—C25 | −178.5 (2) | C107—Si6—O216—C217 | −169.0 (13) |
Si2—C31—C32—C33 | −178.8 (2) | C111—Si6—C101—C102 | −31.1 (2) |
Si2—C31—C36—C35 | 178.5 (2) | C111—Si6—C101—C106 | 151.5 (2) |
O4—Si2—C21—C22 | −105.1 (2) | C111—Si6—C107—C108 | 175.7 (2) |
O4—Si2—C21—C26 | 73.5 (2) | C111—Si6—C107—C109 | −66.0 (2) |
O4—Si2—C27—C28 | 56.7 (2) | C111—Si6—C107—C110 | 56.8 (2) |
O4—Si2—C27—C29 | 179.9 (2) | C111—Si6—O16—C117 | −28.8 (4) |
O4—Si2—C27—C30 | −60.9 (2) | C111—Si6—O216—C217 | −36.2 (17) |
O4—Si2—C31—C32 | −161.0 (2) | C111—C112—C113—C114 | −0.1 (4) |
O4—Si2—C31—C36 | 21.0 (2) | C112—C111—C116—C115 | 0.7 (4) |
O4—C37—C38—O5 | 178.8 (2) | C112—C113—C114—C115 | 0.3 (4) |
O4—C37—C38—C39 | −59.2 (3) | C113—C114—C115—C116 | 0.0 (4) |
O5—C38—C39—O6 | −67.9 (3) | C114—C115—C116—C111 | −0.5 (4) |
C21—Si2—O4—C37 | 10.9 (3) | C116—C111—C112—C113 | −0.3 (4) |
C21—Si2—C27—C28 | −66.7 (3) | O16—Si6—C101—C102 | −153.0 (2) |
C21—Si2—C27—C29 | 56.5 (2) | O16—Si6—C101—C106 | 29.7 (3) |
C21—Si2—C27—C30 | 175.77 (19) | O16—Si6—C107—C108 | −64.7 (2) |
C21—Si2—C31—C32 | −41.7 (3) | O16—Si6—C107—C109 | 53.6 (2) |
C21—Si2—C31—C36 | 140.3 (2) | O16—Si6—C107—C110 | 176.4 (2) |
C21—C22—C23—C24 | 0.7 (4) | O16—Si6—C111—C112 | 75.8 (3) |
C22—C21—C26—C25 | 0.2 (4) | O16—Si6—C111—C116 | −103.0 (2) |
C22—C23—C24—C25 | −0.4 (4) | O16—C117—C118—O17 | 173.4 (3) |
C23—C24—C25—C26 | 0.0 (4) | O16—C117—C118—C119 | −63.1 (4) |
C24—C25—C26—C21 | 0.1 (4) | O17—C118—C119—O18 | 57.1 (3) |
C26—C21—C22—C23 | −0.5 (4) | C117—C118—C119—O18 | −66.1 (3) |
C27—Si2—O4—C37 | −114.9 (3) | O216—Si6—C101—C102 | −143.7 (7) |
C27—Si2—C21—C22 | 15.5 (3) | O216—Si6—C101—C106 | 39.0 (7) |
C27—Si2—C21—C26 | −165.9 (2) | O216—Si6—C107—C108 | −54.6 (7) |
C27—Si2—C31—C32 | 85.4 (2) | O216—Si6—C107—C109 | 63.7 (7) |
C27—Si2—C31—C36 | −92.5 (2) | O216—Si6—C107—C110 | −173.5 (7) |
C31—Si2—O4—C37 | 128.9 (3) | O216—Si6—C111—C112 | 56.9 (5) |
C31—Si2—C21—C22 | 139.6 (2) | O216—Si6—C111—C116 | −121.9 (5) |
C31—Si2—C21—C26 | −41.8 (2) | O216—C217—C218—O217 | 179.0 (13) |
C31—Si2—C27—C28 | 169.5 (2) | O216—C217—C218—C219 | −56.5 (15) |
C31—Si2—C27—C29 | −67.2 (2) | O217—C218—C219—O218 | −46.6 (18) |
C31—Si2—C27—C30 | 52.0 (2) | C217—C218—C219—O218 | −173.0 (10) |
C31—C32—C33—C34 | −0.1 (4) | Si7—O19—C137—C138 | 168.6 (2) |
C32—C31—C36—C35 | 0.5 (4) | Si7—C131—C132—C133 | 179.4 (2) |
C32—C33—C34—C35 | 1.3 (4) | Si7—C131—C136—C135 | −178.9 (3) |
C33—C34—C35—C36 | −1.6 (4) | Si7—C121—C122—C123 | 179.4 (8) |
C34—C35—C36—C31 | 0.7 (5) | Si7—C121—C126—C125 | −178.8 (6) |
C36—C31—C32—C33 | −0.8 (4) | Si7—C161—C162—C163 | 175.3 (15) |
C37—C38—C39—O6 | 172.8 (2) | Si7—C161—C166—C165 | −175.2 (14) |
Si3—O7—C57—C58 | 155.52 (19) | O19—Si7—C127—C128 | 175.0 (2) |
Si3—C41—C42—C43 | 179.8 (3) | O19—Si7—C127—C129 | 56.8 (2) |
Si3—C41—C46—C45 | −179.6 (2) | O19—Si7—C127—C130 | −62.7 (2) |
Si3—C51—C52—C53 | −179.39 (19) | O19—Si7—C131—C132 | 153.1 (2) |
Si3—C51—C56—C55 | 179.7 (2) | O19—Si7—C131—C136 | −26.9 (3) |
O7—Si3—C41—C42 | 113.9 (2) | O19—Si7—C121—C122 | 119.3 (10) |
O7—Si3—C41—C46 | −65.6 (2) | O19—Si7—C121—C126 | −60.1 (11) |
O7—Si3—C47—C48 | 57.9 (2) | O19—C137—C138—O20 | −80.5 (3) |
O7—Si3—C47—C49 | 177.1 (2) | O19—C137—C138—C139 | 47.3 (3) |
O7—Si3—C47—C50 | −61.1 (3) | O20—C138—C139—O21 | −57.1 (3) |
O7—Si3—C51—C52 | 157.82 (19) | C127—Si7—O19—C137 | 45.9 (3) |
O7—Si3—C51—C56 | −22.5 (2) | C127—Si7—C131—C132 | −86.7 (2) |
O7—C57—C58—O8 | −66.9 (3) | C127—Si7—C131—C136 | 93.3 (3) |
O7—C57—C58—C59 | 56.1 (3) | C127—Si7—C121—C122 | −7.3 (14) |
O8—C58—C59—O9 | −64.6 (3) | C127—Si7—C121—C126 | 173.3 (8) |
C41—Si3—O7—C57 | −55.5 (2) | C131—Si7—O19—C137 | 163.9 (3) |
C41—Si3—C47—C48 | −176.9 (2) | C131—Si7—C127—C128 | 60.9 (2) |
C41—Si3—C47—C49 | −57.8 (2) | C131—Si7—C127—C129 | −57.3 (2) |
C41—Si3—C47—C50 | 64.1 (3) | C131—Si7—C127—C130 | −176.82 (19) |
C41—Si3—C51—C52 | 41.3 (2) | C131—Si7—C121—C122 | −130.2 (11) |
C41—Si3—C51—C56 | −139.1 (2) | C131—Si7—C121—C126 | 50.5 (10) |
C41—C42—C43—C44 | 0.4 (5) | C131—C132—C133—C134 | 0.2 (5) |
C42—C41—C46—C45 | 0.8 (4) | C132—C131—C136—C135 | 1.1 (5) |
C42—C43—C44—C45 | −0.2 (5) | C132—C133—C134—C135 | −0.3 (5) |
C43—C44—C45—C46 | 0.4 (5) | C133—C134—C135—C136 | 0.7 (6) |
C44—C45—C46—C41 | −0.7 (4) | C134—C135—C136—C131 | −1.2 (6) |
C46—C41—C42—C43 | −0.7 (4) | C136—C131—C132—C133 | −0.6 (4) |
C47—Si3—O7—C57 | 72.2 (2) | C137—C138—C139—O21 | 174.9 (2) |
C47—Si3—C41—C42 | −11.6 (3) | C121—Si7—O19—C137 | −82.2 (6) |
C47—Si3—C41—C46 | 168.93 (19) | C121—Si7—C127—C128 | −61.2 (6) |
C47—Si3—C51—C52 | −84.4 (2) | C121—Si7—C127—C129 | −179.3 (6) |
C47—Si3—C51—C56 | 95.3 (2) | C121—Si7—C127—C130 | 61.1 (6) |
C51—Si3—O7—C57 | −170.7 (2) | C121—Si7—C131—C132 | 39.7 (4) |
C51—Si3—C41—C42 | −134.2 (2) | C121—Si7—C131—C136 | −140.3 (4) |
C51—Si3—C41—C46 | 46.3 (2) | C121—C122—C123—C124 | 0.8 (15) |
C51—Si3—C47—C48 | −55.0 (3) | C122—C121—C126—C125 | 1.8 (15) |
C51—Si3—C47—C49 | 64.1 (2) | C122—C123—C124—C125 | −0.8 (17) |
C51—Si3—C47—C50 | −174.0 (2) | C123—C124—C125—C126 | 1.4 (16) |
C51—C52—C53—C54 | −0.3 (4) | C124—C125—C126—C121 | −1.9 (12) |
C52—C51—C56—C55 | −0.6 (4) | C126—C121—C122—C123 | −1.2 (16) |
C52—C53—C54—C55 | −0.7 (4) | C161—Si7—O19—C137 | −76.8 (12) |
C53—C54—C55—C56 | 1.0 (4) | C161—Si7—C127—C128 | −60.8 (10) |
C54—C55—C56—C51 | −0.4 (4) | C161—Si7—C127—C129 | −179.0 (10) |
C56—C51—C52—C53 | 1.0 (3) | C161—Si7—C127—C130 | 61.5 (10) |
C57—C58—C59—O9 | 173.7 (2) | C161—Si7—C131—C132 | 33.6 (6) |
Si4—O10—C77—C78 | −163.62 (19) | C161—Si7—C131—C136 | −146.4 (6) |
Si4—C61—C62—C63 | 173.3 (2) | C161—C162—C163—C164 | −4 (3) |
Si4—C61—C66—C65 | −174.1 (3) | C162—C161—C166—C165 | −5 (4) |
Si4—C71—C72—C73 | −171.8 (2) | C162—C163—C164—C165 | 3 (3) |
Si4—C71—C76—C75 | 172.2 (3) | C163—C164—C165—C166 | −2 (3) |
O10—Si4—C61—C62 | −162.8 (2) | C164—C165—C166—C161 | 3 (3) |
O10—Si4—C61—C66 | 12.2 (2) | C166—C161—C162—C163 | 5 (4) |
O10—Si4—C67—C68 | −170.9 (2) | Si8—C141—C142—C143 | −174.8 (3) |
O10—Si4—C67—C69 | 67.1 (2) | Si8—C141—C146—C145 | 174.2 (2) |
O10—Si4—C67—C70 | −52.8 (2) | Si8—C151—C152—C153 | 174.7 (2) |
O10—Si4—C71—C72 | −177.7 (2) | Si8—C151—C156—C155 | −173.65 (19) |
O10—Si4—C71—C76 | 8.8 (3) | Si8—O22—C157—C158 | 129.9 (4) |
O10—C77—C78—O11 | 73.0 (3) | Si8—O32—C257—C258 | 152 (4) |
O10—C77—C78—C79 | −167.9 (3) | C141—Si8—C147—C148 | −50.2 (3) |
O11—C78—C79—O12 | −65.3 (3) | C141—Si8—C147—C149 | 71.3 (2) |
C61—Si4—O10—C77 | −165.2 (3) | C141—Si8—C147—C150 | −169.29 (19) |
C61—Si4—C67—C68 | −58.2 (2) | C141—Si8—C151—C152 | 120.3 (2) |
C61—Si4—C67—C69 | 179.71 (19) | C141—Si8—C151—C156 | −64.4 (2) |
C61—Si4—C67—C70 | 59.9 (2) | C141—Si8—O22—C157 | −40.0 (4) |
C61—Si4—C71—C72 | 72.7 (2) | C141—Si8—O32—C257 | −33 (5) |
C61—Si4—C71—C76 | −100.8 (3) | C141—C142—C143—C144 | −0.4 (5) |
C61—C62—C63—C64 | 0.8 (5) | C142—C141—C146—C145 | −1.9 (4) |
C62—C61—C66—C65 | 1.1 (4) | C142—C143—C144—C145 | −0.2 (5) |
C62—C63—C64—C65 | 1.1 (6) | C143—C144—C145—C146 | −0.3 (5) |
C63—C64—C65—C66 | −1.8 (6) | C144—C145—C146—C141 | 1.4 (4) |
C64—C65—C66—C61 | 0.7 (5) | C146—C141—C142—C143 | 1.4 (4) |
C66—C61—C62—C63 | −1.8 (4) | C147—Si8—C141—C142 | −129.3 (2) |
C67—Si4—O10—C77 | −46.1 (3) | C147—Si8—C141—C146 | 54.7 (3) |
C67—Si4—C61—C62 | 78.8 (2) | C147—Si8—C151—C152 | −111.5 (2) |
C67—Si4—C61—C66 | −106.2 (2) | C147—Si8—C151—C156 | 63.7 (2) |
C67—Si4—C71—C72 | −52.6 (3) | C147—Si8—O22—C157 | −163.6 (3) |
C67—Si4—C71—C76 | 134.0 (3) | C147—Si8—O32—C257 | −162 (4) |
C71—Si4—O10—C77 | 81.1 (3) | C151—Si8—C141—C142 | −5.0 (3) |
C71—Si4—C61—C62 | −47.9 (2) | C151—Si8—C141—C146 | 179.0 (2) |
C71—Si4—C61—C66 | 127.1 (2) | C151—Si8—C147—C148 | −175.2 (2) |
C71—Si4—C67—C68 | 64.8 (2) | C151—Si8—C147—C149 | −53.6 (2) |
C71—Si4—C67—C69 | −57.3 (2) | C151—Si8—C147—C150 | 65.7 (2) |
C71—Si4—C67—C70 | −177.12 (17) | C151—Si8—O22—C157 | 80.8 (4) |
C71—C72—C73—C74 | −1.0 (5) | C151—Si8—O32—C257 | 82 (5) |
C72—C71—C76—C75 | −1.8 (5) | C151—C152—C153—C154 | −0.7 (5) |
C72—C73—C74—C75 | 0.0 (5) | C152—C151—C156—C155 | 1.7 (4) |
C73—C74—C75—C76 | 0.0 (6) | C152—C153—C154—C155 | 1.5 (4) |
C74—C75—C76—C71 | 0.9 (6) | C153—C154—C155—C156 | −0.7 (4) |
C76—C71—C72—C73 | 1.8 (4) | C154—C155—C156—C151 | −0.9 (4) |
C77—C78—C79—O12 | 174.0 (3) | C156—C151—C152—C153 | −0.9 (4) |
Si5—O13—C97—C98 | −161.09 (16) | O22—Si8—C141—C142 | 115.2 (2) |
Si5—C81—C82—C83 | −179.0 (2) | O22—Si8—C141—C146 | −60.8 (3) |
Si5—C81—C86—C85 | 178.7 (2) | O22—Si8—C147—C148 | 69.0 (3) |
Si5—C91—C92—C93 | −177.4 (2) | O22—Si8—C147—C149 | −169.4 (3) |
Si5—C91—C96—C95 | 177.3 (2) | O22—Si8—C147—C150 | −50.1 (3) |
O13—Si5—C81—C82 | −126.4 (2) | O22—Si8—C151—C152 | 0.0 (3) |
O13—Si5—C81—C86 | 54.2 (2) | O22—Si8—C151—C156 | 175.2 (2) |
O13—Si5—C87—C88 | −47.4 (2) | O22—C157—C158—O23 | −63.0 (4) |
O13—Si5—C87—C89 | −167.1 (2) | O22—C157—C158—C159 | 57.1 (4) |
O13—Si5—C87—C90 | 73.2 (3) | C157—C158—C159—O24 | 172.8 (3) |
O13—Si5—C91—C92 | 0.5 (2) | O23—C158—C159—O24 | −65.6 (3) |
O13—Si5—C91—C96 | −177.5 (2) | O32—Si8—C141—C142 | 104.6 (12) |
O13—C97—C98—O14 | −62.9 (3) | O32—Si8—C141—C146 | −71.3 (12) |
O13—C97—C98—C99 | 59.6 (3) | O32—Si8—C147—C148 | 73.4 (16) |
O14—C98—C99—O15 | −174.36 (19) | O32—Si8—C147—C149 | −165.0 (16) |
C81—Si5—O13—C97 | 33.8 (2) | O32—Si8—C147—C150 | −45.7 (16) |
C81—Si5—C87—C88 | 72.1 (3) | O32—Si8—C151—C152 | 6.8 (13) |
C81—Si5—C87—C89 | −47.6 (3) | O32—Si8—C151—C156 | −178.0 (13) |
C81—Si5—C87—C90 | −167.3 (2) | O32—C257—C258—O33 | −164 (3) |
C81—Si5—C91—C92 | −119.9 (2) | O32—C257—C258—C259 | −44 (4) |
C81—Si5—C91—C96 | 62.0 (2) | C257—C258—C259—O34 | 165 (3) |
C81—C82—C83—C84 | 0.8 (5) | O33—C258—C259—O34 | −73 (3) |
D—H···A | D—H | H···A | D···A | D—H···A |
O2—H2···O18 | 0.84 | 2.02 | 2.840 (3) | 166 |
O2—H2···O218 | 0.84 | 2.06 | 2.796 (9) | 146 |
O3—H3A···O23 | 0.84 | 1.93 | 2.757 (3) | 167 |
O5—H5A···O9 | 0.84 | 1.82 | 2.659 (3) | 174 |
O6—H6A···O14i | 0.84 | 1.87 | 2.701 (3) | 168 |
O8—H8···O6 | 0.84 | 2.06 | 2.812 (3) | 149 |
O9—H9···O24 | 0.84 | 2.14 | 2.835 (5) | 140 |
O11—H11···O6 | 0.84 | 1.95 | 2.787 (3) | 177 |
O12—H12G···O24 | 0.84 | 2.08 | 2.867 (4) | 155 |
O14—H14G···O13 | 0.84 | 2.42 | 2.838 (2) | 111 |
O15—H15H···O21ii | 0.84 | 1.85 | 2.679 (3) | 169 |
O17—H17···O12 | 0.84 | 1.86 | 2.639 (3) | 154 |
O18—H18···O15 | 0.84 | 1.90 | 2.722 (3) | 164 |
O218—H218···O15 | 0.84 | 1.80 | 2.630 (10) | 171 |
O20—H20···O5 | 0.84 | 1.99 | 2.785 (3) | 157 |
O21—H21···O8 | 0.84 | 1.89 | 2.731 (3) | 175 |
O23—H23···O17 | 0.84 | 1.86 | 2.689 (3) | 171 |
O24—H24···O2 | 0.84 | 1.92 | 2.727 (5) | 161 |
C119—H11G···O3 | 0.99 | 2.45 | 3.283 (4) | 141 |
C138—H138···O3i | 1.00 | 2.50 | 3.314 (3) | 138 |
Symmetry codes: (i) x−1, y, z; (ii) x+1, y, z. |
C19H26O3Si | F(000) = 1424 |
Mr = 330.49 | Dx = 1.184 Mg m−3 |
Triclinic, P1 | Melting point: 334 K |
a = 14.7922 (10) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 15.6306 (10) Å | Cell parameters from 9308 reflections |
c = 17.2048 (11) Å | θ = 2.9–27.6° |
α = 110.901 (2)° | µ = 0.14 mm−1 |
β = 91.705 (2)° | T = 173 K |
γ = 92.851 (2)° | Block, colourless |
V = 3706.8 (4) Å3 | 0.6 × 0.45 × 0.37 mm |
Z = 8 |
Bruker PHOTON-100 CMOS diffractometer | 28468 reflections with I > 2σ(I) |
Radiation source: sealedtube | Rint = 0.034 |
ω scans | θmax = 27.6°, θmin = 2.8° |
Absorption correction: multi-scan (SADABS; Krause et al., 2015) | h = −19→19 |
Tmin = 0.907, Tmax = 0.950 | k = −20→20 |
120838 measured reflections | l = −22→22 |
34177 independent reflections |
Refinement on F2 | Hydrogen site location: mixed |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.046 | w = 1/[σ2(Fo2) + (0.0633P)2 + 0.5751P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.118 | (Δ/σ)max = 0.001 |
S = 1.03 | Δρmax = 0.33 e Å−3 |
34177 reflections | Δρmin = −0.25 e Å−3 |
1857 parameters | Absolute structure: Flack x determined using 11980 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013 |
272 restraints | Absolute structure parameter: −0.008 (18) |
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Si1 | 0.61557 (5) | 0.63297 (5) | 0.22560 (5) | 0.02855 (17) | |
O1 | 0.66840 (14) | 0.57278 (14) | 0.27224 (13) | 0.0346 (5) | |
O2 | 0.68848 (16) | 0.54615 (18) | 0.42796 (15) | 0.0452 (6) | |
H2 | 0.705997 | 0.529953 | 0.467222 | 0.068* | |
O3 | 0.7951 (2) | 0.3905 (2) | 0.3604 (2) | 0.0606 (7) | |
H3A | 0.747064 | 0.378765 | 0.380569 | 0.091* | 0.639 (6) |
H3B | 0.795846 | 0.419177 | 0.412029 | 0.091* | 0.361 (6) |
C1 | 0.5524 (2) | 0.7205 (2) | 0.30591 (19) | 0.0340 (7) | |
C2 | 0.5274 (3) | 0.8011 (2) | 0.2966 (2) | 0.0483 (9) | |
H2A | 0.544775 | 0.813773 | 0.248951 | 0.058* | |
C3 | 0.4777 (3) | 0.8633 (3) | 0.3555 (3) | 0.0658 (12) | |
H3 | 0.460769 | 0.917620 | 0.347794 | 0.079* | |
C4 | 0.4529 (3) | 0.8457 (3) | 0.4257 (3) | 0.0593 (11) | |
H4 | 0.418841 | 0.887937 | 0.466264 | 0.071* | |
C5 | 0.4777 (2) | 0.7673 (3) | 0.4366 (2) | 0.0474 (8) | |
H5 | 0.461046 | 0.755482 | 0.484906 | 0.057* | |
C6 | 0.5269 (2) | 0.7051 (2) | 0.3775 (2) | 0.0390 (7) | |
H6 | 0.543587 | 0.650948 | 0.385867 | 0.047* | |
C7 | 0.5347 (2) | 0.5462 (2) | 0.14620 (19) | 0.0329 (6) | |
C8 | 0.5829 (3) | 0.4621 (2) | 0.0930 (2) | 0.0455 (8) | |
H8A | 0.538038 | 0.415754 | 0.056636 | 0.068* | |
H8B | 0.615110 | 0.436559 | 0.129417 | 0.068* | |
H8C | 0.626239 | 0.480349 | 0.058893 | 0.068* | |
C9 | 0.4620 (2) | 0.5143 (3) | 0.1936 (2) | 0.0460 (8) | |
H9A | 0.419054 | 0.468904 | 0.153671 | 0.069* | |
H9B | 0.429637 | 0.567102 | 0.227258 | 0.069* | |
H9C | 0.490955 | 0.486617 | 0.230013 | 0.069* | |
C10 | 0.4867 (2) | 0.5889 (3) | 0.0898 (2) | 0.0431 (8) | |
H10G | 0.437828 | 0.545950 | 0.055962 | 0.065* | |
H10H | 0.530407 | 0.602039 | 0.053152 | 0.065* | |
H10I | 0.461250 | 0.646110 | 0.124262 | 0.065* | |
C11 | 0.7015 (2) | 0.6934 (2) | 0.18167 (19) | 0.0302 (6) | |
C12 | 0.7529 (2) | 0.7704 (2) | 0.2364 (2) | 0.0393 (7) | |
H12 | 0.740456 | 0.792358 | 0.293771 | 0.047* | |
C13 | 0.8208 (2) | 0.8154 (2) | 0.2096 (2) | 0.0448 (8) | |
H13 | 0.855230 | 0.866499 | 0.248463 | 0.054* | |
C14 | 0.8384 (2) | 0.7856 (3) | 0.1261 (2) | 0.0442 (8) | |
H14 | 0.884120 | 0.816929 | 0.106831 | 0.053* | |
C15 | 0.7891 (2) | 0.7102 (2) | 0.0708 (2) | 0.0428 (8) | |
H15 | 0.801497 | 0.689047 | 0.013357 | 0.051* | |
C16 | 0.7218 (2) | 0.6651 (2) | 0.0981 (2) | 0.0352 (7) | |
H16 | 0.688497 | 0.613306 | 0.058969 | 0.042* | |
C17 | 0.7433 (2) | 0.6106 (2) | 0.3306 (2) | 0.0371 (7) | |
H17A | 0.729334 | 0.671398 | 0.370523 | 0.045* | |
H17B | 0.797399 | 0.618993 | 0.300940 | 0.045* | |
C18 | 0.7625 (2) | 0.5474 (2) | 0.3769 (2) | 0.0402 (7) | |
H18A | 0.818473 | 0.572368 | 0.413819 | 0.048* | |
C19 | 0.7781 (3) | 0.4516 (3) | 0.3180 (3) | 0.0518 (9) | |
H19A | 0.724008 | 0.427300 | 0.279518 | 0.062* | |
H19B | 0.830299 | 0.454447 | 0.284152 | 0.062* | |
Si2 | 0.38999 (6) | 0.35632 (6) | 0.76076 (5) | 0.0347 (2) | |
Si3 | 0.10055 (6) | 0.64607 (6) | 0.24174 (5) | 0.03348 (18) | |
O4 | 0.31610 (19) | 0.39614 (18) | 0.71207 (16) | 0.0540 (7) | |
O5 | 0.2475 (2) | 0.3925 (2) | 0.50721 (17) | 0.0603 (7) | |
H5A | 0.272291 | 0.418354 | 0.477398 | 0.090* | |
O6 | 0.24708 (17) | 0.58801 (16) | 0.60938 (16) | 0.0470 (6) | |
H6A | 0.222646 | 0.634852 | 0.639887 | 0.071* | |
O7 | 0.17269 (16) | 0.60173 (17) | 0.28903 (15) | 0.0436 (6) | |
O8 | 0.19451 (16) | 0.60092 (19) | 0.45560 (15) | 0.0473 (6) | |
H8 | 0.210019 | 0.575794 | 0.489259 | 0.071* | |
O9 | 0.33162 (19) | 0.4687 (2) | 0.4118 (2) | 0.0656 (8) | |
H9 | 0.388231 | 0.478168 | 0.417891 | 0.098* | |
C21 | 0.4449 (2) | 0.2565 (2) | 0.6864 (2) | 0.0383 (7) | |
C22 | 0.4248 (3) | 0.1642 (2) | 0.6775 (2) | 0.0518 (9) | |
H22 | 0.381759 | 0.150942 | 0.712178 | 0.062* | |
C23 | 0.4654 (3) | 0.0927 (3) | 0.6204 (3) | 0.0601 (10) | |
H23A | 0.449732 | 0.031186 | 0.615460 | 0.072* | |
C24 | 0.5276 (3) | 0.1105 (3) | 0.5714 (3) | 0.0622 (10) | |
H24A | 0.556168 | 0.061160 | 0.532476 | 0.075* | |
C25 | 0.5506 (3) | 0.2006 (3) | 0.5770 (3) | 0.0598 (10) | |
H25 | 0.594013 | 0.212632 | 0.542022 | 0.072* | |
C26 | 0.5086 (3) | 0.2720 (3) | 0.6348 (2) | 0.0480 (9) | |
H26 | 0.524077 | 0.333246 | 0.638913 | 0.058* | |
C27 | 0.3270 (3) | 0.3309 (3) | 0.8451 (2) | 0.0497 (9) | |
C28 | 0.2433 (3) | 0.2642 (3) | 0.8079 (3) | 0.0764 (14) | |
H28A | 0.207059 | 0.259276 | 0.853060 | 0.115* | |
H28B | 0.263080 | 0.203575 | 0.774754 | 0.115* | |
H28C | 0.206555 | 0.287299 | 0.772213 | 0.115* | |
C29 | 0.3890 (4) | 0.2924 (4) | 0.8948 (3) | 0.0764 (14) | |
H29A | 0.353999 | 0.275761 | 0.935316 | 0.115* | |
H29B | 0.437478 | 0.338793 | 0.924124 | 0.115* | |
H29C | 0.415617 | 0.237756 | 0.856849 | 0.115* | |
C30 | 0.2927 (3) | 0.4218 (3) | 0.9033 (3) | 0.0674 (12) | |
H30A | 0.260348 | 0.411085 | 0.948172 | 0.101* | |
H30B | 0.251584 | 0.445934 | 0.871540 | 0.101* | |
H30C | 0.344352 | 0.466251 | 0.927151 | 0.101* | |
C31 | 0.4776 (2) | 0.4533 (2) | 0.8092 (2) | 0.0355 (7) | |
C32 | 0.5650 (2) | 0.4409 (2) | 0.8342 (2) | 0.0476 (9) | |
H32 | 0.582168 | 0.380688 | 0.826039 | 0.057* | |
C33 | 0.6269 (3) | 0.5145 (3) | 0.8707 (3) | 0.0533 (9) | |
H33A | 0.685887 | 0.504310 | 0.887459 | 0.064* | |
C34 | 0.6044 (3) | 0.6023 (3) | 0.8830 (2) | 0.0478 (9) | |
H34A | 0.647800 | 0.652567 | 0.907077 | 0.057* | |
C35 | 0.5185 (3) | 0.6169 (2) | 0.8602 (3) | 0.0529 (9) | |
H35 | 0.501710 | 0.677555 | 0.869613 | 0.064* | |
C36 | 0.4561 (3) | 0.5430 (2) | 0.8233 (2) | 0.0462 (8) | |
H36 | 0.397095 | 0.554003 | 0.807242 | 0.055* | |
C37 | 0.2802 (3) | 0.3611 (3) | 0.6287 (3) | 0.0555 (10) | |
H37A | 0.216514 | 0.337672 | 0.627291 | 0.067* | |
H37B | 0.315245 | 0.309367 | 0.595464 | 0.067* | |
C38 | 0.2840 (3) | 0.4340 (3) | 0.5911 (2) | 0.0481 (8) | |
H38 | 0.348679 | 0.455308 | 0.590393 | 0.058* | |
C39 | 0.2321 (3) | 0.5149 (3) | 0.6409 (2) | 0.0495 (9) | |
H39A | 0.166564 | 0.496396 | 0.636278 | 0.059* | |
H39B | 0.252728 | 0.536109 | 0.700348 | 0.059* | |
C41 | 0.0410 (2) | 0.7390 (2) | 0.3209 (2) | 0.0376 (7) | |
C42 | 0.0494 (3) | 0.8323 (3) | 0.3337 (3) | 0.0599 (11) | |
H42 | 0.088048 | 0.853378 | 0.300226 | 0.072* | |
C43 | 0.0020 (4) | 0.8950 (3) | 0.3950 (3) | 0.0744 (15) | |
H43 | 0.008810 | 0.958349 | 0.402646 | 0.089* | |
C44 | −0.0542 (3) | 0.8671 (3) | 0.4442 (3) | 0.0634 (12) | |
H44 | −0.086481 | 0.910565 | 0.485541 | 0.076* | |
C45 | −0.0636 (3) | 0.7758 (3) | 0.4334 (2) | 0.0518 (9) | |
H45 | −0.102430 | 0.755647 | 0.467251 | 0.062* | |
C46 | −0.0162 (2) | 0.7130 (2) | 0.3729 (2) | 0.0419 (8) | |
H46 | −0.022933 | 0.650048 | 0.366591 | 0.050* | |
C47 | 0.1578 (3) | 0.6825 (3) | 0.1614 (2) | 0.0495 (9) | |
C48 | 0.1987 (4) | 0.5973 (3) | 0.0999 (3) | 0.0744 (14) | |
H48A | 0.229375 | 0.614119 | 0.057157 | 0.112* | |
H48B | 0.150314 | 0.549721 | 0.073359 | 0.112* | |
H48C | 0.242562 | 0.573971 | 0.129996 | 0.112* | |
C49 | 0.0878 (3) | 0.7182 (4) | 0.1151 (3) | 0.0726 (13) | |
H49A | 0.117155 | 0.734754 | 0.071687 | 0.109* | |
H49B | 0.061952 | 0.772384 | 0.154482 | 0.109* | |
H49C | 0.039360 | 0.670251 | 0.089514 | 0.109* | |
C50 | 0.2359 (3) | 0.7568 (3) | 0.1986 (3) | 0.0706 (13) | |
H50A | 0.262850 | 0.772922 | 0.153858 | 0.106* | |
H50B | 0.282146 | 0.733200 | 0.226143 | 0.106* | |
H50C | 0.212228 | 0.811495 | 0.239252 | 0.106* | |
C51 | 0.0160 (2) | 0.5479 (2) | 0.18866 (18) | 0.0318 (6) | |
C52 | −0.0714 (2) | 0.5610 (2) | 0.1654 (2) | 0.0380 (7) | |
H52 | −0.089258 | 0.621608 | 0.176580 | 0.046* | |
C53 | −0.1335 (2) | 0.4869 (2) | 0.1261 (2) | 0.0446 (8) | |
H53 | −0.193097 | 0.497211 | 0.110943 | 0.054* | |
C54 | −0.1083 (3) | 0.3993 (2) | 0.1094 (2) | 0.0457 (8) | |
H54 | −0.150783 | 0.348825 | 0.082734 | 0.055* | |
C55 | −0.0225 (3) | 0.3839 (2) | 0.1308 (2) | 0.0467 (8) | |
H55 | −0.005344 | 0.322910 | 0.118823 | 0.056* | |
C56 | 0.0396 (2) | 0.4577 (2) | 0.1701 (2) | 0.0418 (8) | |
H56 | 0.099169 | 0.446466 | 0.184565 | 0.050* | |
C57 | 0.2420 (3) | 0.6539 (3) | 0.3485 (2) | 0.0524 (9) | |
H57A | 0.219977 | 0.714100 | 0.382106 | 0.063* | |
H57B | 0.295409 | 0.665044 | 0.319221 | 0.063* | |
C58 | 0.2690 (2) | 0.6044 (3) | 0.4045 (2) | 0.0461 (8) | |
H58 | 0.321530 | 0.640262 | 0.441863 | 0.055* | |
C59 | 0.2974 (3) | 0.5106 (3) | 0.3569 (2) | 0.0552 (10) | |
H59A | 0.244848 | 0.472443 | 0.322881 | 0.066* | |
H59B | 0.344784 | 0.514587 | 0.318656 | 0.066* | |
Si4 | 0.37456 (6) | 0.86218 (6) | 0.77683 (6) | 0.03321 (19) | |
O10 | 0.41874 (16) | 0.76503 (16) | 0.72834 (16) | 0.0457 (6) | |
O11 | 0.4219 (2) | 0.6208 (2) | 0.56680 (16) | 0.0578 (7) | |
H11 | 0.370089 | 0.606887 | 0.579022 | 0.087* | |
O12 | 0.5586 (2) | 0.49972 (19) | 0.5625 (2) | 0.0663 (8) | |
H12G | 0.519413 | 0.485798 | 0.522853 | 0.099* | |
C61 | 0.2884 (2) | 0.8274 (2) | 0.8391 (2) | 0.0393 (7) | |
C62 | 0.2184 (3) | 0.8830 (4) | 0.8747 (3) | 0.0618 (10) | |
H62 | 0.217753 | 0.942365 | 0.871275 | 0.074* | |
C63 | 0.1505 (3) | 0.8545 (4) | 0.9144 (3) | 0.0793 (12) | |
H63 | 0.103453 | 0.893447 | 0.938107 | 0.095* | |
C64 | 0.1516 (4) | 0.7686 (5) | 0.9194 (3) | 0.0839 (12) | |
H64 | 0.103948 | 0.747726 | 0.945399 | 0.101* | |
C65 | 0.2190 (4) | 0.7139 (4) | 0.8882 (4) | 0.0842 (13) | |
H65 | 0.219757 | 0.655668 | 0.893925 | 0.101* | |
C66 | 0.2890 (3) | 0.7425 (3) | 0.8467 (3) | 0.0597 (11) | |
H66 | 0.336169 | 0.703316 | 0.824157 | 0.072* | |
C67 | 0.4626 (2) | 0.9501 (2) | 0.8451 (2) | 0.0414 (8) | |
C68 | 0.4201 (3) | 1.0367 (3) | 0.9009 (3) | 0.0672 (13) | |
H68A | 0.467078 | 1.078189 | 0.939270 | 0.101* | |
H68B | 0.373305 | 1.019875 | 0.932930 | 0.101* | |
H68C | 0.392808 | 1.067597 | 0.866323 | 0.101* | |
C69 | 0.5325 (3) | 0.9768 (3) | 0.7928 (3) | 0.0579 (10) | |
H69A | 0.580312 | 1.018482 | 0.829653 | 0.087* | |
H69B | 0.502874 | 1.007501 | 0.759177 | 0.087* | |
H69C | 0.559050 | 0.921511 | 0.755977 | 0.087* | |
C70 | 0.5096 (3) | 0.9068 (3) | 0.9015 (2) | 0.0473 (8) | |
H70A | 0.557287 | 0.950150 | 0.936910 | 0.071* | |
H70B | 0.536528 | 0.850493 | 0.866998 | 0.071* | |
H70C | 0.465048 | 0.891969 | 0.936577 | 0.071* | |
C71 | 0.3122 (2) | 0.8996 (2) | 0.6994 (2) | 0.0366 (7) | |
C72 | 0.2693 (3) | 0.9814 (2) | 0.7197 (3) | 0.0521 (9) | |
H72 | 0.277270 | 1.024784 | 0.774916 | 0.063* | |
C73 | 0.2157 (3) | 1.0020 (3) | 0.6627 (3) | 0.0611 (11) | |
H73 | 0.186719 | 1.058177 | 0.678800 | 0.073* | |
C74 | 0.2044 (3) | 0.9403 (3) | 0.5820 (3) | 0.0631 (10) | |
H74 | 0.168500 | 0.953849 | 0.541733 | 0.076* | |
C75 | 0.2453 (4) | 0.8598 (4) | 0.5608 (3) | 0.0763 (12) | |
H75 | 0.236529 | 0.816417 | 0.505626 | 0.092* | |
C76 | 0.2994 (3) | 0.8400 (3) | 0.6179 (2) | 0.0656 (11) | |
H76 | 0.328616 | 0.783888 | 0.600817 | 0.079* | |
C77 | 0.4973 (2) | 0.7387 (2) | 0.6848 (2) | 0.0482 (9) | |
H77A | 0.550854 | 0.751983 | 0.724164 | 0.058* | |
H77B | 0.506909 | 0.772828 | 0.646718 | 0.058* | |
C78 | 0.4843 (2) | 0.6368 (2) | 0.6357 (2) | 0.0432 (7) | |
H78 | 0.460534 | 0.604494 | 0.672396 | 0.052* | |
C79 | 0.5709 (3) | 0.5980 (3) | 0.6008 (3) | 0.0650 (10) | |
H79A | 0.590214 | 0.624221 | 0.558912 | 0.078* | |
H79B | 0.618911 | 0.614593 | 0.645882 | 0.078* | |
Si5 | 0.88899 (6) | 0.87732 (6) | 0.77004 (5) | 0.0360 (2) | |
O13 | 0.97184 (15) | 0.81163 (15) | 0.73036 (13) | 0.0368 (5) | |
O14 | 1.13413 (17) | 0.7200 (2) | 0.68654 (16) | 0.0551 (7) | |
H14G | 1.115522 | 0.742604 | 0.734869 | 0.083* | |
O15 | 0.93514 (15) | 0.61301 (17) | 0.54848 (15) | 0.0422 (5) | |
H15H | 0.956050 | 0.581933 | 0.502834 | 0.063* | |
C81 | 0.8096 (2) | 0.8807 (2) | 0.6847 (2) | 0.0392 (7) | |
C82 | 0.7860 (3) | 0.9629 (3) | 0.6773 (2) | 0.0521 (9) | |
H82 | 0.811412 | 1.019470 | 0.716235 | 0.062* | |
C83 | 0.7256 (3) | 0.9632 (3) | 0.6136 (3) | 0.0642 (11) | |
H83 | 0.710298 | 1.019869 | 0.609663 | 0.077* | |
C84 | 0.6883 (3) | 0.8827 (3) | 0.5568 (3) | 0.0594 (11) | |
H84 | 0.647231 | 0.883570 | 0.513635 | 0.071* | |
C85 | 0.7102 (3) | 0.8003 (3) | 0.5620 (2) | 0.0546 (10) | |
H85 | 0.684059 | 0.744329 | 0.522583 | 0.066* | |
C86 | 0.7707 (3) | 0.7992 (3) | 0.6249 (2) | 0.0486 (8) | |
H86 | 0.786030 | 0.741962 | 0.627421 | 0.058* | |
C87 | 0.8329 (3) | 0.8232 (3) | 0.8404 (3) | 0.0569 (9) | |
C88 | 0.8145 (4) | 0.7199 (3) | 0.7953 (3) | 0.0772 (13) | |
H88A | 0.784276 | 0.693475 | 0.832218 | 0.116* | |
H88B | 0.871941 | 0.691365 | 0.779412 | 0.116* | |
H88C | 0.775386 | 0.708560 | 0.745135 | 0.116* | |
C89 | 0.7422 (3) | 0.8633 (4) | 0.8654 (3) | 0.0762 (13) | |
H89A | 0.712475 | 0.832730 | 0.899577 | 0.114* | |
H89B | 0.703724 | 0.853773 | 0.815293 | 0.114* | |
H89C | 0.751721 | 0.929133 | 0.897523 | 0.114* | |
C90 | 0.8941 (4) | 0.8410 (5) | 0.9179 (3) | 0.0868 (14) | |
H90A | 0.863326 | 0.816842 | 0.956117 | 0.130* | |
H90B | 0.907986 | 0.907146 | 0.945477 | 0.130* | |
H90C | 0.950552 | 0.810345 | 0.901937 | 0.130* | |
C91 | 0.9387 (2) | 0.9961 (2) | 0.8319 (2) | 0.0414 (8) | |
C92 | 1.0319 (3) | 1.0137 (3) | 0.8372 (2) | 0.0482 (9) | |
H92 | 1.068546 | 0.965727 | 0.807236 | 0.058* | |
C93 | 1.0738 (3) | 1.0983 (3) | 0.8845 (3) | 0.0634 (11) | |
H93 | 1.137852 | 1.108179 | 0.886986 | 0.076* | |
C94 | 1.0203 (4) | 1.1684 (3) | 0.9284 (3) | 0.0645 (12) | |
H94 | 1.047913 | 1.226828 | 0.961506 | 0.077* | |
C95 | 0.9289 (4) | 1.1539 (3) | 0.9240 (2) | 0.0625 (12) | |
H95 | 0.892827 | 1.202247 | 0.954195 | 0.075* | |
C96 | 0.8877 (3) | 1.0696 (3) | 0.8762 (2) | 0.0525 (9) | |
H96 | 0.823511 | 1.061164 | 0.873208 | 0.063* | |
C97 | 1.0121 (2) | 0.8006 (2) | 0.6532 (2) | 0.0399 (7) | |
H97A | 1.054618 | 0.854017 | 0.659980 | 0.048* | |
H97B | 0.964574 | 0.796738 | 0.610144 | 0.048* | |
C98 | 1.0621 (2) | 0.7141 (2) | 0.6268 (2) | 0.0398 (7) | |
H98 | 1.089808 | 0.707268 | 0.572764 | 0.048* | |
C99 | 1.0020 (2) | 0.6284 (2) | 0.6137 (2) | 0.0440 (8) | |
H99A | 1.039672 | 0.574830 | 0.600024 | 0.053* | |
H99B | 0.971929 | 0.634526 | 0.665888 | 0.053* | |
Si6 | 0.88543 (6) | 0.36523 (7) | 0.77272 (6) | 0.0399 (2) | |
C101 | 0.9447 (2) | 0.2703 (3) | 0.6969 (2) | 0.0443 (8) | |
C102 | 0.9536 (3) | 0.1857 (3) | 0.7070 (3) | 0.0554 (10) | |
H102 | 0.926651 | 0.175095 | 0.752448 | 0.066* | |
C103 | 1.0004 (3) | 0.1182 (3) | 0.6524 (3) | 0.0677 (12) | |
H103 | 1.005342 | 0.061591 | 0.660496 | 0.081* | |
C104 | 1.0406 (3) | 0.1315 (4) | 0.5858 (3) | 0.0686 (12) | |
H104 | 1.072978 | 0.084377 | 0.548257 | 0.082* | |
C105 | 1.0333 (3) | 0.2132 (4) | 0.5743 (3) | 0.0634 (12) | |
H105 | 1.060998 | 0.222908 | 0.528801 | 0.076* | |
C106 | 0.9859 (3) | 0.2818 (3) | 0.6285 (2) | 0.0505 (9) | |
H106 | 0.981066 | 0.337784 | 0.619232 | 0.061* | |
C107 | 0.9692 (2) | 0.4479 (3) | 0.8512 (2) | 0.0443 (8) | |
C108 | 1.0420 (3) | 0.4801 (3) | 0.8038 (3) | 0.0660 (12) | |
H10A | 1.083399 | 0.527423 | 0.843672 | 0.099* | |
H10B | 1.012764 | 0.505539 | 0.765722 | 0.099* | |
H10C | 1.076115 | 0.427906 | 0.771894 | 0.099* | |
C109 | 0.9226 (3) | 0.5327 (3) | 0.9071 (3) | 0.0632 (11) | |
H10D | 0.968035 | 0.576353 | 0.945541 | 0.095* | |
H10E | 0.877179 | 0.513655 | 0.939049 | 0.095* | |
H10F | 0.892969 | 0.561979 | 0.872303 | 0.095* | |
C110 | 1.0164 (3) | 0.4022 (3) | 0.9052 (2) | 0.0526 (9) | |
H11A | 1.063741 | 0.444994 | 0.941623 | 0.079* | |
H11B | 1.043692 | 0.346890 | 0.869213 | 0.079* | |
H11C | 0.971881 | 0.385297 | 0.939161 | 0.079* | |
C111 | 0.7940 (2) | 0.3106 (2) | 0.8163 (2) | 0.0382 (7) | |
C112 | 0.7374 (2) | 0.2386 (3) | 0.7610 (2) | 0.0490 (9) | |
H112 | 0.747476 | 0.218360 | 0.703181 | 0.059* | |
C113 | 0.6670 (3) | 0.1957 (3) | 0.7882 (2) | 0.0507 (9) | |
H113 | 0.629114 | 0.147687 | 0.749320 | 0.061* | |
C114 | 0.6528 (2) | 0.2234 (2) | 0.8714 (2) | 0.0453 (8) | |
H114 | 0.605348 | 0.194053 | 0.890620 | 0.054* | |
C115 | 0.7071 (2) | 0.2938 (2) | 0.9277 (2) | 0.0439 (8) | |
H115 | 0.696835 | 0.312873 | 0.985445 | 0.053* | |
C116 | 0.7763 (2) | 0.3368 (2) | 0.9004 (2) | 0.0383 (7) | |
H116 | 0.812883 | 0.385452 | 0.939940 | 0.046* | |
O16 | 0.8417 (6) | 0.4387 (4) | 0.7320 (4) | 0.0349 (14) | 0.639 (6) |
O17 | 0.6631 (2) | 0.3712 (2) | 0.5665 (2) | 0.0351 (9) | 0.639 (6) |
H17 | 0.642514 | 0.422361 | 0.573458 | 0.053* | 0.639 (6) |
O18 | 0.7808 (2) | 0.5152 (3) | 0.5617 (2) | 0.0365 (10) | 0.639 (6) |
H18 | 0.823977 | 0.553555 | 0.565115 | 0.055* | 0.639 (6) |
C117 | 0.7545 (3) | 0.4342 (4) | 0.6937 (3) | 0.0369 (12) | 0.639 (6) |
H11D | 0.735307 | 0.497198 | 0.705263 | 0.044* | 0.639 (6) |
H11E | 0.710334 | 0.402068 | 0.717567 | 0.044* | 0.639 (6) |
C118 | 0.7548 (3) | 0.3847 (5) | 0.6016 (4) | 0.0323 (12) | 0.639 (6) |
H118 | 0.777249 | 0.322664 | 0.592105 | 0.039* | 0.639 (6) |
C119 | 0.8158 (4) | 0.4304 (4) | 0.5574 (4) | 0.0369 (13) | 0.639 (6) |
H11F | 0.877711 | 0.441581 | 0.583845 | 0.044* | 0.639 (6) |
H11G | 0.819005 | 0.389887 | 0.498413 | 0.044* | 0.639 (6) |
O216 | 0.8400 (12) | 0.4074 (7) | 0.7100 (8) | 0.038 (3) | 0.361 (6) |
O217 | 0.7059 (6) | 0.3947 (5) | 0.5278 (5) | 0.052 (2) | 0.361 (6) |
H217 | 0.690666 | 0.339465 | 0.519385 | 0.078* | 0.361 (6) |
O218 | 0.7718 (5) | 0.5805 (6) | 0.5872 (5) | 0.0456 (19) | 0.361 (6) |
H218 | 0.824633 | 0.593411 | 0.576466 | 0.068* | 0.361 (6) |
C217 | 0.7710 (6) | 0.3719 (6) | 0.6490 (7) | 0.037 (2) | 0.361 (6) |
H21A | 0.711475 | 0.378426 | 0.674718 | 0.044* | 0.361 (6) |
H21B | 0.777906 | 0.305860 | 0.618163 | 0.044* | 0.361 (6) |
C218 | 0.7762 (9) | 0.4253 (7) | 0.5891 (8) | 0.037 (2) | 0.361 (6) |
H21C | 0.834951 | 0.413685 | 0.561083 | 0.044* | 0.361 (6) |
C219 | 0.7754 (7) | 0.5249 (6) | 0.6376 (6) | 0.045 (2) | 0.361 (6) |
H21D | 0.722331 | 0.535734 | 0.672857 | 0.055* | 0.361 (6) |
H21E | 0.830591 | 0.544404 | 0.675174 | 0.055* | 0.361 (6) |
Si7 | 0.13650 (6) | 0.15854 (6) | 0.26029 (6) | 0.0368 (2) | |
O19 | 0.08991 (17) | 0.25227 (17) | 0.31634 (19) | 0.0538 (7) | |
O20 | 0.0589 (2) | 0.3915 (2) | 0.49084 (18) | 0.0664 (8) | |
H20 | 0.113762 | 0.382933 | 0.481250 | 0.100* | |
O21 | 0.02271 (17) | 0.52272 (16) | 0.41232 (17) | 0.0481 (6) | |
H21 | 0.074511 | 0.549834 | 0.424674 | 0.072* | |
C127 | 0.0525 (2) | 0.0717 (3) | 0.1852 (2) | 0.0461 (8) | |
C128 | 0.0994 (4) | −0.0110 (3) | 0.1285 (3) | 0.0765 (14) | |
H12A | 0.055167 | −0.051781 | 0.086372 | 0.115* | |
H12B | 0.124836 | −0.044267 | 0.161836 | 0.115* | |
H12C | 0.148112 | 0.010040 | 0.100996 | 0.115* | |
C129 | 0.0071 (3) | 0.1189 (4) | 0.1309 (3) | 0.0729 (14) | |
H12D | −0.036825 | 0.075213 | 0.090619 | 0.109* | |
H12E | 0.053384 | 0.140039 | 0.101041 | 0.109* | |
H12F | −0.024139 | 0.171585 | 0.166433 | 0.109* | |
C130 | −0.0219 (3) | 0.0371 (3) | 0.2291 (3) | 0.0591 (11) | |
H13A | −0.063952 | −0.007357 | 0.187349 | 0.089* | |
H13B | −0.054992 | 0.088993 | 0.263384 | 0.089* | |
H13C | 0.005700 | 0.007533 | 0.264718 | 0.089* | |
C131 | 0.2204 (2) | 0.2007 (2) | 0.2014 (2) | 0.0389 (7) | |
C132 | 0.2978 (3) | 0.1546 (3) | 0.1727 (3) | 0.0588 (10) | |
H132 | 0.308014 | 0.100506 | 0.183927 | 0.071* | |
C133 | 0.3603 (3) | 0.1845 (4) | 0.1286 (3) | 0.0693 (12) | |
H133 | 0.412868 | 0.151814 | 0.110610 | 0.083* | |
C134 | 0.3461 (3) | 0.2621 (3) | 0.1108 (3) | 0.0666 (12) | |
H134 | 0.387842 | 0.282558 | 0.079236 | 0.080* | |
C135 | 0.2715 (4) | 0.3091 (3) | 0.1389 (4) | 0.0750 (14) | |
H135 | 0.261826 | 0.363262 | 0.127612 | 0.090* | |
C136 | 0.2096 (3) | 0.2793 (3) | 0.1837 (3) | 0.0609 (11) | |
H136 | 0.158331 | 0.313662 | 0.202913 | 0.073* | |
C137 | 0.0098 (2) | 0.2678 (2) | 0.3592 (2) | 0.0447 (8) | |
H13D | 0.005564 | 0.229115 | 0.393890 | 0.054* | |
H13E | −0.042987 | 0.250092 | 0.318688 | 0.054* | |
C138 | 0.0074 (2) | 0.3677 (2) | 0.4142 (2) | 0.0444 (8) | |
H138 | −0.057138 | 0.377690 | 0.428925 | 0.053* | |
C139 | 0.0310 (3) | 0.4281 (2) | 0.3665 (2) | 0.0482 (8) | |
H13F | 0.094203 | 0.419049 | 0.349329 | 0.058* | |
H13G | −0.008995 | 0.409417 | 0.315297 | 0.058* | |
C121 | 0.1993 (15) | 0.1186 (9) | 0.3330 (10) | 0.0376 (14) | 0.570 (8) |
C122 | 0.1834 (7) | 0.0340 (6) | 0.3411 (6) | 0.068 (3) | 0.570 (8) |
H122 | 0.136121 | −0.007136 | 0.307577 | 0.081* | 0.570 (8) |
C123 | 0.2346 (8) | 0.0076 (7) | 0.3968 (7) | 0.084 (3) | 0.570 (8) |
H123 | 0.223936 | −0.051939 | 0.398929 | 0.100* | 0.570 (8) |
C124 | 0.2984 (14) | 0.0655 (10) | 0.4471 (10) | 0.069 (5) | 0.570 (8) |
H124 | 0.330788 | 0.048207 | 0.487163 | 0.083* | 0.570 (8) |
C125 | 0.3177 (6) | 0.1482 (6) | 0.4421 (5) | 0.063 (2) | 0.570 (8) |
H125 | 0.365518 | 0.187823 | 0.476400 | 0.076* | 0.570 (8) |
C126 | 0.2668 (5) | 0.1762 (5) | 0.3855 (5) | 0.057 (2) | 0.570 (8) |
H126 | 0.279286 | 0.235656 | 0.383646 | 0.069* | 0.570 (8) |
C161 | 0.197 (2) | 0.1048 (13) | 0.3299 (12) | 0.0376 (14) | 0.430 (8) |
C162 | 0.2406 (7) | 0.0233 (6) | 0.2982 (6) | 0.049 (3) | 0.430 (8) |
H162 | 0.235487 | −0.010711 | 0.241546 | 0.059* | 0.430 (8) |
C163 | 0.2886 (8) | −0.0092 (5) | 0.3511 (7) | 0.055 (3) | 0.430 (8) |
H163 | 0.311461 | −0.066748 | 0.331392 | 0.066* | 0.430 (8) |
C164 | 0.3001 (15) | 0.0386 (12) | 0.4336 (11) | 0.048 (4) | 0.430 (8) |
H164 | 0.335539 | 0.016071 | 0.468215 | 0.058* | 0.430 (8) |
C165 | 0.2604 (10) | 0.1190 (8) | 0.4663 (6) | 0.061 (3) | 0.430 (8) |
H165 | 0.262225 | 0.150519 | 0.523308 | 0.074* | 0.430 (8) |
C166 | 0.2111 (7) | 0.1540 (5) | 0.4146 (5) | 0.043 (2) | 0.430 (8) |
H166 | 0.182898 | 0.208149 | 0.438377 | 0.051* | 0.430 (8) |
Si8 | 0.63071 (6) | 0.09366 (6) | 0.21977 (6) | 0.0367 (2) | |
C141 | 0.7026 (2) | 0.0863 (2) | 0.3084 (2) | 0.0391 (7) | |
C142 | 0.6960 (3) | 0.0105 (3) | 0.3320 (2) | 0.0522 (9) | |
H142 | 0.656882 | −0.041022 | 0.300263 | 0.063* | |
C143 | 0.7449 (4) | 0.0080 (3) | 0.4008 (3) | 0.0684 (13) | |
H143 | 0.739463 | −0.045384 | 0.414987 | 0.082* | |
C144 | 0.8007 (3) | 0.0808 (3) | 0.4485 (2) | 0.0581 (10) | |
H144 | 0.833108 | 0.078860 | 0.496331 | 0.070* | |
C145 | 0.8096 (3) | 0.1562 (3) | 0.4271 (2) | 0.0575 (10) | |
H145 | 0.848671 | 0.207316 | 0.459793 | 0.069* | |
C146 | 0.7620 (3) | 0.1588 (3) | 0.3579 (3) | 0.0555 (10) | |
H146 | 0.769873 | 0.211850 | 0.343447 | 0.067* | |
C147 | 0.6945 (3) | 0.1242 (3) | 0.1387 (2) | 0.0476 (8) | |
C148 | 0.7573 (4) | 0.2109 (3) | 0.1787 (3) | 0.0800 (16) | |
H14A | 0.782780 | 0.229928 | 0.134994 | 0.120* | |
H14B | 0.806575 | 0.198109 | 0.211507 | 0.120* | |
H14C | 0.722829 | 0.260194 | 0.215150 | 0.120* | |
C149 | 0.7496 (3) | 0.0455 (3) | 0.0881 (3) | 0.0651 (11) | |
H14D | 0.787573 | 0.065530 | 0.051191 | 0.098* | |
H14E | 0.708556 | −0.006611 | 0.054587 | 0.098* | |
H14F | 0.788270 | 0.027043 | 0.125810 | 0.098* | |
C150 | 0.6246 (3) | 0.1431 (4) | 0.0803 (3) | 0.0681 (12) | |
H15A | 0.655775 | 0.156801 | 0.036199 | 0.102* | |
H15B | 0.590719 | 0.195624 | 0.111944 | 0.102* | |
H15C | 0.582598 | 0.088890 | 0.055255 | 0.102* | |
C151 | 0.5607 (2) | −0.0168 (2) | 0.1670 (2) | 0.0352 (7) | |
C152 | 0.4671 (2) | −0.0163 (3) | 0.1619 (3) | 0.0499 (9) | |
H152 | 0.439187 | 0.039170 | 0.189624 | 0.060* | |
C153 | 0.4128 (3) | −0.0952 (3) | 0.1170 (3) | 0.0577 (10) | |
H153 | 0.348806 | −0.092847 | 0.114658 | 0.069* | |
C154 | 0.4511 (3) | −0.1750 (3) | 0.0768 (2) | 0.0512 (9) | |
H154 | 0.413851 | −0.228268 | 0.045703 | 0.061* | |
C155 | 0.5436 (3) | −0.1793 (2) | 0.0807 (2) | 0.0438 (8) | |
H155 | 0.570255 | −0.235570 | 0.052891 | 0.053* | |
C156 | 0.5980 (2) | −0.1012 (2) | 0.1256 (2) | 0.0396 (7) | |
H156 | 0.661849 | −0.104759 | 0.128398 | 0.047* | |
O22 | 0.5669 (6) | 0.1792 (5) | 0.2528 (7) | 0.0367 (17) | 0.712 (5) |
O23 | 0.6352 (2) | 0.3223 (2) | 0.40032 (19) | 0.0387 (9) | 0.712 (5) |
H23 | 0.644870 | 0.330194 | 0.450846 | 0.058* | 0.712 (5) |
O24 | 0.5185 (18) | 0.4556 (6) | 0.3799 (14) | 0.049 (3) | 0.712 (5) |
H24 | 0.572858 | 0.475589 | 0.384383 | 0.073* | 0.712 (5) |
C157 | 0.5224 (5) | 0.2010 (5) | 0.3285 (7) | 0.0412 (17) | 0.712 (5) |
H15D | 0.544947 | 0.164144 | 0.360473 | 0.049* | 0.712 (5) |
H15E | 0.456376 | 0.186263 | 0.316731 | 0.049* | 0.712 (5) |
C158 | 0.5403 (3) | 0.3012 (3) | 0.3784 (3) | 0.0360 (10) | 0.712 (5) |
H158 | 0.506344 | 0.316865 | 0.430630 | 0.043* | 0.712 (5) |
C159 | 0.5114 (4) | 0.3618 (3) | 0.3307 (3) | 0.0389 (11) | 0.712 (5) |
H15F | 0.549625 | 0.351272 | 0.282314 | 0.047* | 0.712 (5) |
H15G | 0.447776 | 0.343689 | 0.309133 | 0.047* | 0.712 (5) |
O32 | 0.5482 (15) | 0.1686 (14) | 0.2607 (18) | 0.035 (3) | 0.288 (5) |
O33 | 0.4371 (8) | 0.3243 (8) | 0.4423 (6) | 0.073 (3) | 0.288 (5) |
H33 | 0.444982 | 0.283589 | 0.462618 | 0.109* | 0.288 (5) |
O34 | 0.520 (4) | 0.4560 (16) | 0.394 (3) | 0.047 (7) | 0.288 (5) |
H34 | 0.566633 | 0.491504 | 0.401487 | 0.071* | 0.288 (5) |
C257 | 0.5002 (17) | 0.1990 (13) | 0.3359 (17) | 0.047 (4) | 0.288 (5) |
H25A | 0.539593 | 0.194773 | 0.381792 | 0.057* | 0.288 (5) |
H25B | 0.446003 | 0.156670 | 0.329074 | 0.057* | 0.288 (5) |
C258 | 0.4702 (9) | 0.2961 (8) | 0.3609 (8) | 0.053 (3) | 0.288 (5) |
H258 | 0.419912 | 0.296873 | 0.321042 | 0.064* | 0.288 (5) |
C259 | 0.5441 (10) | 0.3636 (10) | 0.3599 (11) | 0.056 (3) | 0.288 (5) |
H25C | 0.598067 | 0.355943 | 0.391634 | 0.067* | 0.288 (5) |
H25D | 0.560826 | 0.350492 | 0.301653 | 0.067* | 0.288 (5) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Si1 | 0.0304 (4) | 0.0278 (4) | 0.0281 (4) | −0.0011 (3) | −0.0011 (3) | 0.0113 (3) |
O1 | 0.0352 (11) | 0.0346 (11) | 0.0369 (12) | −0.0016 (9) | −0.0064 (9) | 0.0178 (10) |
O2 | 0.0449 (13) | 0.0543 (15) | 0.0437 (14) | −0.0014 (11) | −0.0075 (11) | 0.0276 (12) |
O3 | 0.0475 (15) | 0.0623 (17) | 0.093 (2) | 0.0166 (13) | 0.0075 (16) | 0.0512 (17) |
C1 | 0.0363 (16) | 0.0310 (15) | 0.0320 (16) | −0.0047 (12) | −0.0005 (13) | 0.0091 (13) |
C2 | 0.064 (2) | 0.0353 (18) | 0.047 (2) | 0.0072 (16) | 0.0142 (18) | 0.0159 (15) |
C3 | 0.091 (3) | 0.037 (2) | 0.068 (3) | 0.016 (2) | 0.025 (2) | 0.0125 (19) |
C4 | 0.065 (3) | 0.046 (2) | 0.050 (2) | 0.0039 (18) | 0.0179 (19) | −0.0037 (18) |
C5 | 0.046 (2) | 0.053 (2) | 0.0361 (18) | −0.0063 (16) | 0.0053 (15) | 0.0088 (16) |
C6 | 0.0405 (17) | 0.0421 (17) | 0.0325 (16) | −0.0039 (14) | 0.0006 (13) | 0.0119 (14) |
C7 | 0.0339 (15) | 0.0303 (15) | 0.0339 (16) | −0.0020 (12) | −0.0001 (12) | 0.0113 (13) |
C8 | 0.053 (2) | 0.0330 (17) | 0.0441 (19) | 0.0014 (15) | 0.0002 (16) | 0.0070 (15) |
C9 | 0.0434 (19) | 0.0441 (19) | 0.049 (2) | −0.0121 (15) | −0.0010 (16) | 0.0169 (16) |
C10 | 0.0394 (18) | 0.050 (2) | 0.0411 (19) | −0.0049 (15) | −0.0114 (15) | 0.0196 (16) |
C11 | 0.0313 (15) | 0.0280 (14) | 0.0339 (15) | 0.0031 (12) | −0.0004 (12) | 0.0142 (12) |
C12 | 0.0450 (18) | 0.0352 (17) | 0.0354 (17) | −0.0049 (14) | −0.0009 (14) | 0.0112 (14) |
C13 | 0.0426 (18) | 0.0385 (17) | 0.054 (2) | −0.0095 (14) | −0.0021 (16) | 0.0198 (16) |
C14 | 0.0408 (18) | 0.0468 (19) | 0.054 (2) | −0.0024 (15) | 0.0068 (16) | 0.0288 (17) |
C15 | 0.0440 (18) | 0.048 (2) | 0.0407 (18) | 0.0031 (15) | 0.0074 (15) | 0.0213 (16) |
C16 | 0.0365 (16) | 0.0347 (16) | 0.0343 (16) | 0.0000 (13) | 0.0004 (13) | 0.0128 (13) |
C17 | 0.0350 (16) | 0.0395 (17) | 0.0376 (17) | −0.0048 (13) | −0.0078 (13) | 0.0165 (14) |
C18 | 0.0322 (16) | 0.0487 (19) | 0.0462 (19) | −0.0017 (14) | −0.0062 (14) | 0.0260 (16) |
C19 | 0.050 (2) | 0.051 (2) | 0.064 (2) | 0.0146 (17) | −0.0010 (18) | 0.0312 (19) |
Si2 | 0.0376 (5) | 0.0293 (4) | 0.0362 (5) | 0.0013 (4) | −0.0064 (4) | 0.0115 (4) |
Si3 | 0.0362 (4) | 0.0321 (4) | 0.0310 (4) | −0.0016 (3) | −0.0018 (3) | 0.0107 (3) |
O4 | 0.0633 (17) | 0.0463 (14) | 0.0455 (14) | 0.0178 (12) | −0.0205 (12) | 0.0082 (12) |
O5 | 0.0712 (19) | 0.0585 (17) | 0.0473 (15) | 0.0053 (14) | −0.0138 (14) | 0.0155 (13) |
O6 | 0.0477 (14) | 0.0405 (13) | 0.0506 (14) | 0.0138 (11) | −0.0018 (11) | 0.0127 (11) |
O7 | 0.0414 (13) | 0.0448 (13) | 0.0400 (13) | 0.0023 (10) | −0.0096 (10) | 0.0106 (11) |
O8 | 0.0437 (13) | 0.0617 (16) | 0.0355 (13) | 0.0139 (11) | 0.0026 (10) | 0.0146 (11) |
O9 | 0.0458 (15) | 0.084 (2) | 0.077 (2) | 0.0226 (15) | 0.0080 (14) | 0.0384 (17) |
C21 | 0.0378 (17) | 0.0323 (16) | 0.0421 (18) | 0.0020 (13) | −0.0110 (14) | 0.0111 (14) |
C22 | 0.066 (2) | 0.0347 (16) | 0.051 (2) | 0.0034 (16) | −0.0124 (17) | 0.0117 (15) |
C23 | 0.073 (2) | 0.0389 (17) | 0.059 (2) | 0.0109 (16) | −0.0165 (18) | 0.0065 (15) |
C24 | 0.064 (2) | 0.0471 (18) | 0.056 (2) | 0.0217 (17) | −0.0205 (17) | −0.0059 (16) |
C25 | 0.050 (2) | 0.062 (2) | 0.051 (2) | 0.0089 (18) | −0.0044 (17) | 0.0002 (18) |
C26 | 0.046 (2) | 0.0392 (18) | 0.048 (2) | 0.0006 (15) | −0.0048 (16) | 0.0033 (16) |
C27 | 0.053 (2) | 0.047 (2) | 0.048 (2) | −0.0079 (17) | 0.0046 (17) | 0.0180 (17) |
C28 | 0.070 (3) | 0.057 (3) | 0.087 (3) | −0.024 (2) | 0.017 (3) | 0.010 (2) |
C29 | 0.096 (4) | 0.087 (3) | 0.062 (3) | −0.005 (3) | −0.003 (3) | 0.048 (3) |
C30 | 0.060 (3) | 0.064 (3) | 0.061 (3) | −0.011 (2) | 0.014 (2) | 0.002 (2) |
C31 | 0.0413 (17) | 0.0296 (15) | 0.0361 (17) | 0.0013 (13) | −0.0022 (13) | 0.0128 (13) |
C32 | 0.0442 (19) | 0.0345 (17) | 0.059 (2) | 0.0030 (15) | −0.0059 (17) | 0.0113 (16) |
C33 | 0.0396 (19) | 0.052 (2) | 0.060 (2) | −0.0009 (16) | −0.0083 (17) | 0.0124 (18) |
C34 | 0.055 (2) | 0.0403 (19) | 0.0412 (19) | −0.0135 (16) | −0.0012 (16) | 0.0081 (15) |
C35 | 0.067 (3) | 0.0320 (18) | 0.059 (2) | −0.0023 (17) | −0.0054 (19) | 0.0167 (17) |
C36 | 0.049 (2) | 0.0316 (17) | 0.056 (2) | 0.0024 (15) | −0.0086 (17) | 0.0154 (16) |
C37 | 0.053 (2) | 0.047 (2) | 0.059 (2) | 0.0014 (17) | −0.0222 (19) | 0.0119 (18) |
C38 | 0.0436 (19) | 0.049 (2) | 0.048 (2) | 0.0044 (16) | −0.0099 (16) | 0.0126 (16) |
C39 | 0.0412 (19) | 0.061 (2) | 0.049 (2) | 0.0146 (17) | 0.0000 (16) | 0.0224 (18) |
C41 | 0.0424 (17) | 0.0339 (16) | 0.0342 (16) | 0.0014 (13) | −0.0073 (13) | 0.0104 (13) |
C42 | 0.100 (3) | 0.0367 (19) | 0.045 (2) | 0.005 (2) | 0.004 (2) | 0.0158 (17) |
C43 | 0.133 (5) | 0.035 (2) | 0.053 (2) | 0.022 (2) | 0.005 (3) | 0.0110 (18) |
C44 | 0.080 (3) | 0.062 (3) | 0.039 (2) | 0.028 (2) | −0.002 (2) | 0.0034 (19) |
C45 | 0.047 (2) | 0.060 (2) | 0.0411 (19) | 0.0133 (17) | 0.0010 (16) | 0.0086 (17) |
C46 | 0.0417 (18) | 0.0419 (18) | 0.0393 (18) | 0.0044 (14) | −0.0012 (14) | 0.0111 (15) |
C47 | 0.054 (2) | 0.050 (2) | 0.044 (2) | −0.0105 (17) | 0.0029 (16) | 0.0173 (17) |
C48 | 0.089 (3) | 0.070 (3) | 0.058 (3) | −0.002 (3) | 0.036 (2) | 0.014 (2) |
C49 | 0.083 (3) | 0.099 (4) | 0.054 (2) | −0.008 (3) | −0.002 (2) | 0.052 (3) |
C50 | 0.067 (3) | 0.072 (3) | 0.076 (3) | −0.026 (2) | 0.006 (2) | 0.036 (3) |
C51 | 0.0371 (16) | 0.0315 (15) | 0.0282 (15) | 0.0029 (12) | 0.0029 (12) | 0.0123 (12) |
C52 | 0.0393 (17) | 0.0327 (16) | 0.0414 (18) | 0.0025 (13) | −0.0005 (14) | 0.0127 (14) |
C53 | 0.0393 (18) | 0.046 (2) | 0.0446 (19) | −0.0052 (15) | −0.0072 (15) | 0.0138 (16) |
C54 | 0.055 (2) | 0.0401 (18) | 0.0389 (18) | −0.0133 (16) | −0.0056 (16) | 0.0136 (15) |
C55 | 0.069 (2) | 0.0262 (16) | 0.0433 (19) | 0.0003 (15) | −0.0044 (17) | 0.0113 (14) |
C56 | 0.0477 (19) | 0.0342 (17) | 0.0432 (19) | 0.0069 (14) | −0.0048 (15) | 0.0136 (15) |
C57 | 0.044 (2) | 0.064 (2) | 0.050 (2) | −0.0108 (18) | −0.0145 (16) | 0.0237 (19) |
C58 | 0.0333 (17) | 0.062 (2) | 0.0442 (19) | −0.0041 (15) | −0.0071 (14) | 0.0217 (17) |
C59 | 0.044 (2) | 0.082 (3) | 0.050 (2) | 0.0230 (19) | 0.0156 (17) | 0.032 (2) |
Si4 | 0.0316 (4) | 0.0309 (4) | 0.0381 (5) | 0.0047 (3) | 0.0016 (3) | 0.0132 (4) |
O10 | 0.0388 (12) | 0.0356 (12) | 0.0558 (15) | 0.0073 (10) | 0.0077 (11) | 0.0069 (11) |
O11 | 0.0599 (16) | 0.0583 (17) | 0.0477 (15) | 0.0121 (14) | −0.0105 (13) | 0.0098 (13) |
O12 | 0.0529 (16) | 0.0500 (15) | 0.073 (2) | 0.0181 (13) | −0.0119 (14) | −0.0070 (14) |
C61 | 0.0381 (17) | 0.0475 (19) | 0.0355 (17) | 0.0020 (14) | −0.0019 (13) | 0.0193 (15) |
C62 | 0.050 (2) | 0.086 (3) | 0.054 (2) | 0.0107 (19) | 0.0161 (17) | 0.029 (2) |
C63 | 0.061 (2) | 0.116 (3) | 0.067 (2) | 0.007 (2) | 0.0193 (19) | 0.039 (2) |
C64 | 0.067 (2) | 0.132 (3) | 0.076 (2) | −0.005 (2) | 0.012 (2) | 0.065 (2) |
C65 | 0.073 (3) | 0.113 (3) | 0.099 (3) | −0.013 (2) | −0.004 (2) | 0.081 (3) |
C66 | 0.050 (2) | 0.066 (3) | 0.079 (3) | −0.0024 (19) | −0.001 (2) | 0.047 (2) |
C67 | 0.0417 (18) | 0.0335 (16) | 0.0483 (19) | 0.0027 (14) | −0.0080 (15) | 0.0145 (15) |
C68 | 0.069 (3) | 0.041 (2) | 0.070 (3) | 0.0117 (19) | −0.030 (2) | −0.0054 (19) |
C69 | 0.055 (2) | 0.054 (2) | 0.070 (3) | −0.0190 (19) | −0.012 (2) | 0.031 (2) |
C70 | 0.0419 (19) | 0.052 (2) | 0.050 (2) | 0.0039 (16) | −0.0069 (16) | 0.0219 (17) |
C71 | 0.0327 (16) | 0.0408 (17) | 0.0412 (18) | 0.0005 (13) | 0.0031 (13) | 0.0207 (15) |
C72 | 0.062 (2) | 0.0329 (17) | 0.058 (2) | −0.0007 (16) | −0.0182 (19) | 0.0137 (16) |
C73 | 0.062 (2) | 0.043 (2) | 0.082 (3) | −0.0019 (18) | −0.027 (2) | 0.030 (2) |
C74 | 0.072 (2) | 0.078 (3) | 0.049 (2) | 0.010 (2) | −0.0083 (18) | 0.0362 (19) |
C75 | 0.091 (3) | 0.092 (3) | 0.0409 (19) | 0.032 (2) | −0.0026 (19) | 0.0144 (19) |
C76 | 0.081 (3) | 0.077 (3) | 0.0375 (19) | 0.036 (2) | 0.0052 (18) | 0.0149 (18) |
C77 | 0.0378 (18) | 0.0453 (19) | 0.054 (2) | 0.0079 (15) | 0.0076 (16) | 0.0076 (17) |
C78 | 0.0369 (15) | 0.0429 (16) | 0.0446 (17) | 0.0095 (13) | −0.0004 (13) | 0.0087 (14) |
C79 | 0.0496 (19) | 0.0527 (19) | 0.074 (2) | 0.0100 (16) | 0.0034 (17) | −0.0001 (17) |
Si5 | 0.0319 (4) | 0.0450 (5) | 0.0327 (4) | 0.0115 (4) | 0.0061 (3) | 0.0145 (4) |
O13 | 0.0377 (12) | 0.0406 (12) | 0.0333 (11) | 0.0125 (10) | 0.0084 (9) | 0.0128 (10) |
O14 | 0.0413 (13) | 0.0647 (17) | 0.0442 (14) | 0.0197 (12) | −0.0055 (11) | −0.0007 (13) |
O15 | 0.0347 (11) | 0.0451 (13) | 0.0423 (13) | 0.0068 (10) | 0.0026 (10) | 0.0094 (11) |
C81 | 0.0329 (16) | 0.0496 (19) | 0.0387 (18) | 0.0104 (14) | 0.0061 (13) | 0.0189 (15) |
C82 | 0.055 (2) | 0.052 (2) | 0.048 (2) | 0.0070 (17) | −0.0104 (17) | 0.0173 (17) |
C83 | 0.066 (3) | 0.064 (3) | 0.069 (3) | 0.008 (2) | −0.017 (2) | 0.032 (2) |
C84 | 0.053 (2) | 0.075 (3) | 0.055 (2) | −0.005 (2) | −0.0178 (19) | 0.032 (2) |
C85 | 0.053 (2) | 0.061 (2) | 0.047 (2) | −0.0098 (18) | −0.0101 (17) | 0.0189 (19) |
C86 | 0.046 (2) | 0.053 (2) | 0.049 (2) | 0.0028 (16) | −0.0019 (16) | 0.0213 (17) |
C87 | 0.0439 (18) | 0.088 (2) | 0.0551 (19) | 0.0142 (17) | 0.0165 (15) | 0.0434 (18) |
C88 | 0.084 (3) | 0.078 (3) | 0.084 (3) | 0.004 (2) | 0.029 (2) | 0.045 (2) |
C89 | 0.056 (2) | 0.105 (3) | 0.077 (3) | 0.019 (2) | 0.032 (2) | 0.039 (3) |
C90 | 0.074 (3) | 0.142 (4) | 0.068 (3) | −0.010 (3) | −0.004 (2) | 0.070 (3) |
C91 | 0.0494 (19) | 0.0458 (19) | 0.0293 (16) | 0.0176 (15) | 0.0040 (14) | 0.0116 (14) |
C92 | 0.050 (2) | 0.0404 (19) | 0.052 (2) | 0.0098 (16) | 0.0071 (17) | 0.0131 (16) |
C93 | 0.066 (3) | 0.051 (2) | 0.071 (3) | −0.001 (2) | 0.002 (2) | 0.020 (2) |
C94 | 0.102 (4) | 0.040 (2) | 0.049 (2) | 0.009 (2) | −0.001 (2) | 0.0127 (18) |
C95 | 0.090 (3) | 0.052 (2) | 0.042 (2) | 0.032 (2) | 0.007 (2) | 0.0093 (18) |
C96 | 0.059 (2) | 0.057 (2) | 0.0393 (19) | 0.0251 (19) | 0.0073 (17) | 0.0107 (17) |
C97 | 0.0402 (17) | 0.0435 (18) | 0.0359 (17) | 0.0083 (14) | 0.0114 (14) | 0.0124 (14) |
C98 | 0.0314 (16) | 0.0463 (18) | 0.0356 (17) | 0.0076 (13) | 0.0008 (13) | 0.0066 (14) |
C99 | 0.0440 (18) | 0.0410 (18) | 0.0422 (19) | 0.0129 (15) | 0.0005 (15) | 0.0080 (15) |
Si6 | 0.0335 (5) | 0.0557 (6) | 0.0377 (5) | −0.0032 (4) | −0.0061 (4) | 0.0270 (4) |
C101 | 0.0387 (18) | 0.059 (2) | 0.0359 (18) | −0.0031 (16) | −0.0064 (14) | 0.0197 (16) |
C102 | 0.060 (2) | 0.062 (2) | 0.046 (2) | 0.0007 (19) | −0.0009 (18) | 0.0225 (19) |
C103 | 0.076 (3) | 0.063 (3) | 0.066 (3) | 0.009 (2) | 0.000 (2) | 0.026 (2) |
C104 | 0.072 (3) | 0.079 (3) | 0.049 (2) | 0.019 (2) | 0.003 (2) | 0.014 (2) |
C105 | 0.058 (2) | 0.097 (4) | 0.039 (2) | 0.014 (2) | 0.0019 (18) | 0.029 (2) |
C106 | 0.048 (2) | 0.069 (3) | 0.0409 (19) | 0.0046 (18) | −0.0012 (16) | 0.0277 (18) |
C107 | 0.0377 (18) | 0.0468 (19) | 0.050 (2) | −0.0047 (15) | −0.0065 (15) | 0.0212 (17) |
C108 | 0.050 (2) | 0.078 (3) | 0.077 (3) | −0.019 (2) | −0.007 (2) | 0.039 (3) |
C109 | 0.063 (3) | 0.046 (2) | 0.076 (3) | 0.0002 (19) | −0.001 (2) | 0.017 (2) |
C110 | 0.044 (2) | 0.064 (2) | 0.045 (2) | −0.0019 (18) | −0.0136 (16) | 0.0163 (19) |
C111 | 0.0346 (16) | 0.0455 (18) | 0.0369 (17) | −0.0010 (14) | −0.0030 (13) | 0.0185 (15) |
C112 | 0.0446 (19) | 0.065 (2) | 0.0368 (18) | −0.0076 (17) | −0.0010 (15) | 0.0192 (17) |
C113 | 0.047 (2) | 0.051 (2) | 0.050 (2) | −0.0116 (17) | −0.0055 (17) | 0.0157 (17) |
C114 | 0.0410 (18) | 0.0420 (19) | 0.057 (2) | 0.0015 (15) | 0.0085 (16) | 0.0227 (17) |
C115 | 0.0457 (19) | 0.047 (2) | 0.0401 (18) | 0.0096 (15) | 0.0094 (15) | 0.0163 (15) |
C116 | 0.0380 (17) | 0.0383 (17) | 0.0377 (17) | 0.0020 (13) | −0.0010 (13) | 0.0129 (14) |
O16 | 0.035 (2) | 0.043 (4) | 0.031 (3) | 0.000 (3) | −0.007 (3) | 0.018 (3) |
O17 | 0.0316 (18) | 0.0410 (19) | 0.0323 (19) | −0.0054 (15) | −0.0038 (14) | 0.0144 (16) |
O18 | 0.0282 (17) | 0.045 (3) | 0.042 (2) | 0.0015 (15) | 0.0018 (14) | 0.0227 (18) |
C117 | 0.038 (3) | 0.045 (3) | 0.032 (3) | 0.008 (2) | 0.001 (2) | 0.018 (2) |
C118 | 0.027 (3) | 0.039 (3) | 0.034 (3) | 0.004 (2) | 0.002 (2) | 0.016 (3) |
C119 | 0.031 (3) | 0.052 (3) | 0.038 (3) | 0.005 (2) | 0.003 (2) | 0.028 (3) |
O216 | 0.050 (5) | 0.030 (6) | 0.031 (6) | −0.002 (5) | −0.010 (5) | 0.007 (4) |
O217 | 0.062 (5) | 0.041 (4) | 0.047 (4) | 0.004 (3) | −0.022 (4) | 0.011 (3) |
O218 | 0.053 (4) | 0.044 (5) | 0.050 (4) | 0.002 (3) | −0.004 (3) | 0.030 (4) |
C217 | 0.041 (5) | 0.030 (5) | 0.038 (6) | −0.003 (4) | −0.015 (4) | 0.014 (5) |
C218 | 0.042 (6) | 0.032 (5) | 0.039 (6) | −0.009 (5) | −0.010 (5) | 0.019 (5) |
C219 | 0.069 (7) | 0.033 (5) | 0.034 (5) | 0.001 (4) | −0.008 (4) | 0.013 (4) |
Si7 | 0.0353 (5) | 0.0287 (4) | 0.0490 (5) | 0.0049 (3) | 0.0025 (4) | 0.0167 (4) |
O19 | 0.0446 (14) | 0.0354 (13) | 0.0820 (19) | 0.0110 (11) | 0.0234 (13) | 0.0193 (13) |
O20 | 0.0688 (19) | 0.079 (2) | 0.0510 (16) | 0.0098 (17) | −0.0077 (14) | 0.0232 (15) |
O21 | 0.0489 (14) | 0.0357 (12) | 0.0565 (15) | 0.0070 (10) | 0.0114 (12) | 0.0114 (11) |
C127 | 0.0434 (19) | 0.047 (2) | 0.052 (2) | −0.0028 (15) | −0.0109 (16) | 0.0245 (17) |
C128 | 0.086 (3) | 0.059 (3) | 0.063 (3) | −0.007 (2) | −0.010 (2) | −0.002 (2) |
C129 | 0.059 (3) | 0.093 (4) | 0.086 (3) | −0.020 (2) | −0.027 (2) | 0.061 (3) |
C130 | 0.057 (2) | 0.051 (2) | 0.073 (3) | −0.0178 (19) | −0.012 (2) | 0.031 (2) |
C131 | 0.0376 (17) | 0.0351 (16) | 0.0452 (18) | 0.0050 (13) | 0.0014 (14) | 0.0154 (14) |
C132 | 0.059 (2) | 0.063 (3) | 0.069 (3) | 0.025 (2) | 0.017 (2) | 0.037 (2) |
C133 | 0.057 (3) | 0.085 (3) | 0.076 (3) | 0.021 (2) | 0.025 (2) | 0.037 (3) |
C134 | 0.062 (3) | 0.081 (3) | 0.062 (3) | −0.012 (2) | 0.014 (2) | 0.033 (2) |
C135 | 0.079 (3) | 0.064 (3) | 0.103 (4) | 0.007 (2) | 0.022 (3) | 0.054 (3) |
C136 | 0.054 (2) | 0.047 (2) | 0.094 (3) | 0.0112 (18) | 0.018 (2) | 0.038 (2) |
C137 | 0.0402 (18) | 0.0434 (19) | 0.053 (2) | −0.0020 (14) | 0.0033 (15) | 0.0209 (16) |
C138 | 0.0409 (18) | 0.0465 (19) | 0.0446 (19) | 0.0027 (15) | 0.0028 (15) | 0.0149 (16) |
C139 | 0.060 (2) | 0.0357 (18) | 0.049 (2) | 0.0110 (16) | 0.0081 (17) | 0.0133 (15) |
C121 | 0.041 (2) | 0.030 (4) | 0.043 (2) | 0.003 (3) | 0.0003 (16) | 0.015 (2) |
C122 | 0.081 (6) | 0.056 (5) | 0.073 (6) | −0.016 (4) | −0.037 (5) | 0.038 (4) |
C123 | 0.100 (8) | 0.087 (7) | 0.084 (7) | −0.017 (6) | −0.036 (7) | 0.062 (6) |
C124 | 0.090 (9) | 0.077 (13) | 0.046 (6) | 0.023 (10) | −0.010 (6) | 0.025 (7) |
C125 | 0.053 (4) | 0.069 (5) | 0.049 (4) | 0.002 (4) | −0.016 (4) | −0.001 (4) |
C126 | 0.055 (5) | 0.048 (4) | 0.060 (5) | 0.004 (3) | −0.004 (4) | 0.009 (3) |
C161 | 0.041 (2) | 0.030 (4) | 0.043 (2) | 0.003 (3) | 0.0003 (16) | 0.015 (2) |
C162 | 0.056 (6) | 0.034 (4) | 0.048 (5) | 0.017 (4) | −0.014 (5) | 0.003 (4) |
C163 | 0.064 (6) | 0.022 (4) | 0.070 (7) | 0.009 (4) | −0.022 (5) | 0.007 (4) |
C164 | 0.052 (7) | 0.034 (6) | 0.061 (10) | 0.006 (5) | −0.018 (7) | 0.021 (6) |
C165 | 0.102 (10) | 0.044 (6) | 0.037 (5) | 0.013 (6) | −0.007 (5) | 0.014 (4) |
C166 | 0.064 (6) | 0.027 (4) | 0.032 (4) | 0.019 (4) | 0.001 (4) | 0.003 (3) |
Si8 | 0.0431 (5) | 0.0319 (4) | 0.0348 (4) | −0.0038 (4) | −0.0066 (4) | 0.0132 (4) |
C141 | 0.0411 (18) | 0.0399 (17) | 0.0361 (17) | −0.0007 (14) | −0.0020 (14) | 0.0142 (14) |
C142 | 0.071 (3) | 0.0408 (19) | 0.044 (2) | −0.0014 (17) | −0.0139 (18) | 0.0174 (16) |
C143 | 0.106 (4) | 0.051 (2) | 0.053 (2) | 0.009 (2) | −0.017 (2) | 0.026 (2) |
C144 | 0.070 (3) | 0.065 (3) | 0.0380 (19) | 0.019 (2) | −0.0094 (18) | 0.0169 (18) |
C145 | 0.055 (2) | 0.069 (3) | 0.044 (2) | −0.010 (2) | −0.0130 (18) | 0.0182 (19) |
C146 | 0.062 (2) | 0.056 (2) | 0.053 (2) | −0.0192 (19) | −0.0149 (19) | 0.0300 (19) |
C147 | 0.054 (2) | 0.047 (2) | 0.0427 (19) | −0.0132 (16) | −0.0107 (16) | 0.0207 (16) |
C148 | 0.101 (4) | 0.071 (3) | 0.068 (3) | −0.048 (3) | −0.010 (3) | 0.032 (2) |
C149 | 0.063 (3) | 0.075 (3) | 0.061 (3) | −0.004 (2) | 0.014 (2) | 0.028 (2) |
C150 | 0.073 (3) | 0.089 (3) | 0.057 (3) | −0.009 (3) | −0.012 (2) | 0.046 (3) |
C151 | 0.0379 (16) | 0.0331 (15) | 0.0363 (16) | 0.0002 (13) | −0.0016 (13) | 0.0151 (13) |
C152 | 0.0410 (19) | 0.0419 (19) | 0.065 (2) | 0.0044 (15) | 0.0030 (17) | 0.0169 (18) |
C153 | 0.0373 (19) | 0.050 (2) | 0.084 (3) | −0.0061 (16) | −0.0035 (19) | 0.025 (2) |
C154 | 0.059 (2) | 0.0385 (19) | 0.054 (2) | −0.0172 (16) | −0.0125 (18) | 0.0178 (17) |
C155 | 0.063 (2) | 0.0289 (16) | 0.0403 (18) | 0.0031 (15) | −0.0037 (16) | 0.0135 (14) |
C156 | 0.0409 (17) | 0.0369 (17) | 0.0399 (17) | 0.0046 (14) | −0.0047 (14) | 0.0130 (14) |
O22 | 0.047 (3) | 0.029 (3) | 0.035 (3) | −0.004 (2) | 0.001 (2) | 0.013 (2) |
O23 | 0.0341 (16) | 0.0443 (18) | 0.0359 (17) | 0.0018 (13) | −0.0033 (13) | 0.0126 (14) |
O24 | 0.040 (4) | 0.039 (4) | 0.061 (9) | 0.006 (3) | −0.003 (5) | 0.010 (4) |
C157 | 0.036 (4) | 0.038 (3) | 0.048 (3) | 0.004 (2) | 0.008 (3) | 0.012 (2) |
C158 | 0.030 (2) | 0.040 (2) | 0.036 (2) | 0.0078 (18) | 0.0075 (17) | 0.0104 (18) |
C159 | 0.038 (3) | 0.037 (2) | 0.036 (3) | 0.010 (2) | −0.005 (2) | 0.006 (2) |
O32 | 0.053 (8) | 0.025 (5) | 0.034 (5) | 0.001 (5) | 0.007 (6) | 0.018 (4) |
O33 | 0.076 (7) | 0.079 (7) | 0.058 (6) | 0.029 (6) | 0.021 (5) | 0.014 (5) |
O34 | 0.039 (9) | 0.034 (8) | 0.046 (12) | 0.013 (7) | −0.010 (8) | −0.012 (7) |
C257 | 0.052 (7) | 0.044 (5) | 0.040 (6) | 0.009 (5) | 0.006 (6) | 0.007 (5) |
C258 | 0.051 (5) | 0.048 (5) | 0.050 (5) | 0.017 (4) | 0.002 (5) | 0.004 (4) |
C259 | 0.045 (6) | 0.050 (6) | 0.055 (6) | 0.017 (5) | −0.009 (5) | −0.003 (6) |
Si1—O1 | 1.648 (2) | C86—H86 | 0.9500 |
Si1—C1 | 1.873 (3) | C87—C88 | 1.528 (7) |
Si1—C7 | 1.886 (3) | C87—C89 | 1.518 (6) |
Si1—C11 | 1.878 (3) | C87—C90 | 1.520 (6) |
O1—C17 | 1.424 (4) | C88—H88A | 0.9800 |
O2—H2 | 0.8400 | C88—H88B | 0.9800 |
O2—C18 | 1.428 (4) | C88—H88C | 0.9800 |
O3—H3A | 0.8400 | C89—H89A | 0.9800 |
O3—H3B | 0.8400 | C89—H89B | 0.9800 |
O3—C19 | 1.420 (4) | C89—H89C | 0.9800 |
C1—C2 | 1.390 (5) | C90—H90A | 0.9800 |
C1—C6 | 1.396 (4) | C90—H90B | 0.9800 |
C2—H2A | 0.9500 | C90—H90C | 0.9800 |
C2—C3 | 1.387 (5) | C91—C92 | 1.386 (5) |
C3—H3 | 0.9500 | C91—C96 | 1.402 (5) |
C3—C4 | 1.387 (6) | C92—H92 | 0.9500 |
C4—H4 | 0.9500 | C92—C93 | 1.384 (6) |
C4—C5 | 1.369 (6) | C93—H93 | 0.9500 |
C5—H5 | 0.9500 | C93—C94 | 1.388 (6) |
C5—C6 | 1.384 (5) | C94—H94 | 0.9500 |
C6—H6 | 0.9500 | C94—C95 | 1.356 (7) |
C7—C8 | 1.532 (5) | C95—H95 | 0.9500 |
C7—C9 | 1.535 (5) | C95—C96 | 1.378 (6) |
C7—C10 | 1.536 (4) | C96—H96 | 0.9500 |
C8—H8A | 0.9800 | C97—H97A | 0.9900 |
C8—H8B | 0.9800 | C97—H97B | 0.9900 |
C8—H8C | 0.9800 | C97—C98 | 1.505 (5) |
C9—H9A | 0.9800 | C98—H98 | 1.0000 |
C9—H9B | 0.9800 | C98—C99 | 1.514 (5) |
C9—H9C | 0.9800 | C99—H99A | 0.9900 |
C10—H10G | 0.9800 | C99—H99B | 0.9900 |
C10—H10H | 0.9800 | Si6—C101 | 1.868 (4) |
C10—H10I | 0.9800 | Si6—C107 | 1.877 (4) |
C11—C12 | 1.404 (4) | Si6—C111 | 1.878 (3) |
C11—C16 | 1.392 (4) | Si6—O16 | 1.687 (7) |
C12—H12 | 0.9500 | Si6—O216 | 1.598 (14) |
C12—C13 | 1.379 (5) | C101—C102 | 1.405 (6) |
C13—H13 | 0.9500 | C101—C106 | 1.404 (5) |
C13—C14 | 1.382 (5) | C102—H102 | 0.9500 |
C14—H14 | 0.9500 | C102—C103 | 1.371 (6) |
C14—C15 | 1.379 (5) | C103—H103 | 0.9500 |
C15—H15 | 0.9500 | C103—C104 | 1.381 (7) |
C15—C16 | 1.380 (5) | C104—H104 | 0.9500 |
C16—H16 | 0.9500 | C104—C105 | 1.369 (7) |
C17—H17A | 0.9900 | C105—H105 | 0.9500 |
C17—H17B | 0.9900 | C105—C106 | 1.381 (6) |
C17—C18 | 1.507 (4) | C106—H106 | 0.9500 |
C18—H18A | 1.0000 | C107—C108 | 1.539 (6) |
C18—C19 | 1.513 (5) | C107—C109 | 1.542 (6) |
C19—H19A | 0.9900 | C107—C110 | 1.531 (5) |
C19—H19B | 0.9900 | C108—H10A | 0.9800 |
Si2—O4 | 1.634 (2) | C108—H10B | 0.9800 |
Si2—C21 | 1.869 (3) | C108—H10C | 0.9800 |
Si2—C27 | 1.894 (4) | C109—H10D | 0.9800 |
Si2—C31 | 1.874 (3) | C109—H10E | 0.9800 |
Si3—O7 | 1.645 (2) | C109—H10F | 0.9800 |
Si3—C41 | 1.878 (3) | C110—H11A | 0.9800 |
Si3—C47 | 1.880 (4) | C110—H11B | 0.9800 |
Si3—C51 | 1.869 (3) | C110—H11C | 0.9800 |
O4—C37 | 1.416 (4) | C111—C112 | 1.402 (5) |
O5—H5A | 0.8400 | C111—C116 | 1.392 (5) |
O5—C38 | 1.430 (4) | C112—H112 | 0.9500 |
O6—H6A | 0.8400 | C112—C113 | 1.391 (5) |
O6—C39 | 1.440 (5) | C113—H113 | 0.9500 |
O7—C57 | 1.422 (4) | C113—C114 | 1.366 (5) |
O8—H8 | 0.8400 | C114—H114 | 0.9500 |
O8—C58 | 1.441 (4) | C114—C115 | 1.377 (5) |
O9—H9 | 0.8400 | C115—H115 | 0.9500 |
O9—C59 | 1.423 (5) | C115—C116 | 1.381 (5) |
C21—C22 | 1.412 (5) | C116—H116 | 0.9500 |
C21—C26 | 1.384 (5) | O16—C117 | 1.419 (9) |
C22—H22 | 0.9500 | O17—H17 | 0.8400 |
C22—C23 | 1.376 (6) | O17—C118 | 1.442 (6) |
C23—H23A | 0.9500 | O18—H18 | 0.8400 |
C23—C24 | 1.350 (7) | O18—C119 | 1.425 (7) |
C24—H24A | 0.9500 | C117—H11D | 0.9900 |
C24—C25 | 1.400 (7) | C117—H11E | 0.9900 |
C25—H25 | 0.9500 | C117—C118 | 1.495 (7) |
C25—C26 | 1.391 (5) | C118—H118 | 1.0000 |
C26—H26 | 0.9500 | C118—C119 | 1.504 (8) |
C27—C28 | 1.542 (6) | C119—H11F | 0.9900 |
C27—C29 | 1.521 (6) | C119—H11G | 0.9900 |
C27—C30 | 1.537 (6) | O216—C217 | 1.385 (16) |
C28—H28A | 0.9800 | O217—H217 | 0.8400 |
C28—H28B | 0.9800 | O217—C218 | 1.394 (11) |
C28—H28C | 0.9800 | O218—H218 | 0.8400 |
C29—H29A | 0.9800 | O218—C219 | 1.432 (10) |
C29—H29B | 0.9800 | C217—H21A | 0.9900 |
C29—H29C | 0.9800 | C217—H21B | 0.9900 |
C30—H30A | 0.9800 | C217—C218 | 1.542 (15) |
C30—H30B | 0.9800 | C218—H21C | 1.0000 |
C30—H30C | 0.9800 | C218—C219 | 1.482 (13) |
C31—C32 | 1.395 (5) | C219—H21D | 0.9900 |
C31—C36 | 1.389 (4) | C219—H21E | 0.9900 |
C32—H32 | 0.9500 | Si7—O19 | 1.638 (2) |
C32—C33 | 1.379 (5) | Si7—C127 | 1.881 (4) |
C33—H33A | 0.9500 | Si7—C131 | 1.863 (4) |
C33—C34 | 1.372 (6) | Si7—C121 | 1.834 (14) |
C34—H34A | 0.9500 | Si7—C161 | 1.917 (19) |
C34—C35 | 1.373 (6) | O19—C137 | 1.400 (4) |
C35—H35 | 0.9500 | O20—H20 | 0.8400 |
C35—C36 | 1.387 (5) | O20—C138 | 1.422 (4) |
C36—H36 | 0.9500 | O21—H21 | 0.8400 |
C37—H37A | 0.9900 | O21—C139 | 1.419 (4) |
C37—H37B | 0.9900 | C127—C128 | 1.527 (6) |
C37—C38 | 1.496 (6) | C127—C129 | 1.541 (5) |
C38—H38 | 1.0000 | C127—C130 | 1.536 (5) |
C38—C39 | 1.512 (5) | C128—H12A | 0.9800 |
C39—H39A | 0.9900 | C128—H12B | 0.9800 |
C39—H39B | 0.9900 | C128—H12C | 0.9800 |
C41—C42 | 1.394 (5) | C129—H12D | 0.9800 |
C41—C46 | 1.398 (5) | C129—H12E | 0.9800 |
C42—H42 | 0.9500 | C129—H12F | 0.9800 |
C42—C43 | 1.393 (6) | C130—H13A | 0.9800 |
C43—H43 | 0.9500 | C130—H13B | 0.9800 |
C43—C44 | 1.367 (7) | C130—H13C | 0.9800 |
C44—H44 | 0.9500 | C131—C132 | 1.392 (5) |
C44—C45 | 1.371 (6) | C131—C136 | 1.382 (5) |
C45—H45 | 0.9500 | C132—H132 | 0.9500 |
C45—C46 | 1.385 (5) | C132—C133 | 1.379 (6) |
C46—H46 | 0.9500 | C133—H133 | 0.9500 |
C47—C48 | 1.540 (6) | C133—C134 | 1.377 (7) |
C47—C49 | 1.531 (6) | C134—H134 | 0.9500 |
C47—C50 | 1.544 (6) | C134—C135 | 1.361 (7) |
C48—H48A | 0.9800 | C135—H135 | 0.9500 |
C48—H48B | 0.9800 | C135—C136 | 1.380 (6) |
C48—H48C | 0.9800 | C136—H136 | 0.9500 |
C49—H49A | 0.9800 | C137—H13D | 0.9900 |
C49—H49B | 0.9800 | C137—H13E | 0.9900 |
C49—H49C | 0.9800 | C137—C138 | 1.513 (5) |
C50—H50A | 0.9800 | C138—H138 | 1.0000 |
C50—H50B | 0.9800 | C138—C139 | 1.491 (5) |
C50—H50C | 0.9800 | C139—H13F | 0.9900 |
C51—C52 | 1.389 (4) | C139—H13G | 0.9900 |
C51—C56 | 1.395 (4) | C121—C122 | 1.387 (16) |
C52—H52 | 0.9500 | C121—C126 | 1.379 (16) |
C52—C53 | 1.392 (5) | C122—H122 | 0.9500 |
C53—H53 | 0.9500 | C122—C123 | 1.390 (10) |
C53—C54 | 1.369 (5) | C123—H123 | 0.9500 |
C54—H54 | 0.9500 | C123—C124 | 1.330 (15) |
C54—C55 | 1.368 (5) | C124—H124 | 0.9500 |
C55—H55 | 0.9500 | C124—C125 | 1.344 (15) |
C55—C56 | 1.390 (5) | C125—H125 | 0.9500 |
C56—H56 | 0.9500 | C125—C126 | 1.414 (10) |
C57—H57A | 0.9900 | C126—H126 | 0.9500 |
C57—H57B | 0.9900 | C161—C162 | 1.391 (18) |
C57—C58 | 1.493 (5) | C161—C166 | 1.387 (17) |
C58—H58 | 1.0000 | C162—H162 | 0.9274 |
C58—C59 | 1.490 (6) | C162—C163 | 1.385 (11) |
C59—H59A | 0.9900 | C163—H163 | 0.9267 |
C59—H59B | 0.9900 | C163—C164 | 1.348 (17) |
Si4—O10 | 1.630 (2) | C164—H164 | 0.9500 |
Si4—C61 | 1.871 (3) | C164—C165 | 1.353 (15) |
Si4—C67 | 1.882 (3) | C165—H165 | 0.9267 |
Si4—C71 | 1.871 (3) | C165—C166 | 1.403 (11) |
O10—C77 | 1.401 (4) | C166—H166 | 0.9260 |
O11—H11 | 0.8400 | Si8—C141 | 1.874 (3) |
O11—C78 | 1.421 (4) | Si8—C147 | 1.890 (4) |
O12—H12G | 0.8400 | Si8—C151 | 1.878 (3) |
O12—C79 | 1.438 (5) | Si8—O22 | 1.618 (8) |
C61—C62 | 1.396 (5) | Si8—O32 | 1.722 (16) |
C61—C66 | 1.379 (5) | C141—C142 | 1.383 (5) |
C62—H62 | 0.9500 | C141—C146 | 1.397 (5) |
C62—C63 | 1.376 (6) | C142—H142 | 0.9500 |
C63—H63 | 0.9500 | C142—C143 | 1.382 (6) |
C63—C64 | 1.376 (8) | C143—H143 | 0.9500 |
C64—H64 | 0.9500 | C143—C144 | 1.360 (6) |
C64—C65 | 1.343 (8) | C144—H144 | 0.9500 |
C65—H65 | 0.9500 | C144—C145 | 1.357 (6) |
C65—C66 | 1.416 (6) | C145—H145 | 0.9500 |
C66—H66 | 0.9500 | C145—C146 | 1.379 (5) |
C67—C68 | 1.531 (5) | C146—H146 | 0.9500 |
C67—C69 | 1.527 (6) | C147—C148 | 1.531 (5) |
C67—C70 | 1.537 (5) | C147—C149 | 1.522 (6) |
C68—H68A | 0.9800 | C147—C150 | 1.532 (5) |
C68—H68B | 0.9800 | C148—H14A | 0.9800 |
C68—H68C | 0.9800 | C148—H14B | 0.9800 |
C69—H69A | 0.9800 | C148—H14C | 0.9800 |
C69—H69B | 0.9800 | C149—H14D | 0.9800 |
C69—H69C | 0.9800 | C149—H14E | 0.9800 |
C70—H70A | 0.9800 | C149—H14F | 0.9800 |
C70—H70B | 0.9800 | C150—H15A | 0.9800 |
C70—H70C | 0.9800 | C150—H15B | 0.9800 |
C71—C72 | 1.392 (5) | C150—H15C | 0.9800 |
C71—C76 | 1.380 (5) | C151—C152 | 1.385 (5) |
C72—H72 | 0.9500 | C151—C156 | 1.405 (4) |
C72—C73 | 1.378 (5) | C152—H152 | 0.9500 |
C73—H73 | 0.9500 | C152—C153 | 1.395 (5) |
C73—C74 | 1.378 (6) | C153—H153 | 0.9500 |
C74—H74 | 0.9500 | C153—C154 | 1.355 (6) |
C74—C75 | 1.357 (7) | C154—H154 | 0.9500 |
C75—H75 | 0.9500 | C154—C155 | 1.374 (5) |
C75—C76 | 1.377 (6) | C155—H155 | 0.9500 |
C76—H76 | 0.9500 | C155—C156 | 1.389 (5) |
C77—H77A | 0.9900 | C156—H156 | 0.9500 |
C77—H77B | 0.9900 | O22—C157 | 1.415 (9) |
C77—C78 | 1.512 (5) | O23—H23 | 0.8400 |
C78—H78 | 1.0000 | O23—C158 | 1.434 (5) |
C78—C79 | 1.495 (5) | O24—H24 | 0.8400 |
C79—H79A | 0.9900 | O24—C159 | 1.404 (11) |
C79—H79B | 0.9900 | C157—H15D | 0.9900 |
Si5—O13 | 1.642 (2) | C157—H15E | 0.9900 |
Si5—C81 | 1.870 (3) | C157—C158 | 1.499 (8) |
Si5—C87 | 1.896 (4) | C158—H158 | 1.0000 |
Si5—C91 | 1.878 (4) | C158—C159 | 1.526 (7) |
O13—C97 | 1.428 (4) | C159—H15F | 0.9900 |
O14—H14G | 0.8400 | C159—H15G | 0.9900 |
O14—C98 | 1.434 (4) | O32—C257 | 1.433 (19) |
O15—H15H | 0.8400 | O33—H33 | 0.8400 |
O15—C99 | 1.418 (4) | O33—C258 | 1.420 (14) |
C81—C82 | 1.395 (5) | O34—H34 | 0.8400 |
C81—C86 | 1.404 (5) | O34—C259 | 1.42 (2) |
C82—H82 | 0.9500 | C257—H25A | 0.9900 |
C82—C83 | 1.395 (5) | C257—H25B | 0.9900 |
C83—H83 | 0.9500 | C257—C258 | 1.516 (19) |
C83—C84 | 1.365 (6) | C258—H258 | 1.0000 |
C84—H84 | 0.9500 | C258—C259 | 1.486 (17) |
C84—C85 | 1.375 (6) | C259—H25C | 0.9900 |
C85—H85 | 0.9500 | C259—H25D | 0.9900 |
C85—C86 | 1.388 (5) | ||
O1—Si1—C1 | 107.79 (13) | C87—C88—H88B | 109.5 |
O1—Si1—C7 | 104.33 (13) | C87—C88—H88C | 109.5 |
O1—Si1—C11 | 109.19 (12) | H88A—C88—H88B | 109.5 |
C1—Si1—C7 | 110.89 (14) | H88A—C88—H88C | 109.5 |
C1—Si1—C11 | 109.09 (13) | H88B—C88—H88C | 109.5 |
C11—Si1—C7 | 115.21 (14) | C87—C89—H89A | 109.5 |
C17—O1—Si1 | 122.53 (19) | C87—C89—H89B | 109.5 |
C18—O2—H2 | 109.5 | C87—C89—H89C | 109.5 |
C19—O3—H3A | 109.5 | H89A—C89—H89B | 109.5 |
C19—O3—H3B | 109.5 | H89A—C89—H89C | 109.5 |
C2—C1—Si1 | 122.5 (3) | H89B—C89—H89C | 109.5 |
C2—C1—C6 | 117.5 (3) | C87—C90—H90A | 109.5 |
C6—C1—Si1 | 120.0 (2) | C87—C90—H90B | 109.5 |
C1—C2—H2A | 119.3 | C87—C90—H90C | 109.5 |
C3—C2—C1 | 121.4 (4) | H90A—C90—H90B | 109.5 |
C3—C2—H2A | 119.3 | H90A—C90—H90C | 109.5 |
C2—C3—H3 | 120.2 | H90B—C90—H90C | 109.5 |
C4—C3—C2 | 119.6 (4) | C92—C91—Si5 | 119.3 (3) |
C4—C3—H3 | 120.2 | C92—C91—C96 | 116.4 (3) |
C3—C4—H4 | 120.1 | C96—C91—Si5 | 124.3 (3) |
C5—C4—C3 | 119.9 (4) | C91—C92—H92 | 118.7 |
C5—C4—H4 | 120.1 | C93—C92—C91 | 122.6 (4) |
C4—C5—H5 | 119.8 | C93—C92—H92 | 118.7 |
C4—C5—C6 | 120.4 (4) | C92—C93—H93 | 120.6 |
C6—C5—H5 | 119.8 | C92—C93—C94 | 118.7 (4) |
C1—C6—H6 | 119.4 | C94—C93—H93 | 120.6 |
C5—C6—C1 | 121.1 (3) | C93—C94—H94 | 119.9 |
C5—C6—H6 | 119.4 | C95—C94—C93 | 120.2 (4) |
C8—C7—Si1 | 111.6 (2) | C95—C94—H94 | 119.9 |
C8—C7—C9 | 108.3 (3) | C94—C95—H95 | 119.7 |
C8—C7—C10 | 109.9 (3) | C94—C95—C96 | 120.7 (4) |
C9—C7—Si1 | 107.8 (2) | C96—C95—H95 | 119.7 |
C9—C7—C10 | 107.9 (3) | C91—C96—H96 | 119.3 |
C10—C7—Si1 | 111.3 (2) | C95—C96—C91 | 121.3 (4) |
C7—C8—H8A | 109.5 | C95—C96—H96 | 119.3 |
C7—C8—H8B | 109.5 | O13—C97—H97A | 109.9 |
C7—C8—H8C | 109.5 | O13—C97—H97B | 109.9 |
H8A—C8—H8B | 109.5 | O13—C97—C98 | 108.8 (3) |
H8A—C8—H8C | 109.5 | H97A—C97—H97B | 108.3 |
H8B—C8—H8C | 109.5 | C98—C97—H97A | 109.9 |
C7—C9—H9A | 109.5 | C98—C97—H97B | 109.9 |
C7—C9—H9B | 109.5 | O14—C98—C97 | 110.8 (3) |
C7—C9—H9C | 109.5 | O14—C98—H98 | 107.8 |
H9A—C9—H9B | 109.5 | O14—C98—C99 | 108.7 (3) |
H9A—C9—H9C | 109.5 | C97—C98—H98 | 107.8 |
H9B—C9—H9C | 109.5 | C97—C98—C99 | 113.6 (3) |
C7—C10—H10G | 109.5 | C99—C98—H98 | 107.8 |
C7—C10—H10H | 109.5 | O15—C99—C98 | 111.5 (3) |
C7—C10—H10I | 109.5 | O15—C99—H99A | 109.3 |
H10G—C10—H10H | 109.5 | O15—C99—H99B | 109.3 |
H10G—C10—H10I | 109.5 | C98—C99—H99A | 109.3 |
H10H—C10—H10I | 109.5 | C98—C99—H99B | 109.3 |
C12—C11—Si1 | 118.8 (2) | H99A—C99—H99B | 108.0 |
C16—C11—Si1 | 124.7 (2) | C101—Si6—C107 | 110.49 (16) |
C16—C11—C12 | 116.4 (3) | C101—Si6—C111 | 107.11 (16) |
C11—C12—H12 | 118.9 | C107—Si6—C111 | 115.82 (16) |
C13—C12—C11 | 122.3 (3) | O16—Si6—C101 | 114.4 (3) |
C13—C12—H12 | 118.9 | O16—Si6—C107 | 98.5 (3) |
C12—C13—H13 | 120.2 | O16—Si6—C111 | 110.6 (3) |
C12—C13—C14 | 119.6 (3) | O216—Si6—C101 | 99.7 (5) |
C14—C13—H13 | 120.2 | O216—Si6—C107 | 113.3 (5) |
C13—C14—H14 | 120.2 | O216—Si6—C111 | 109.1 (7) |
C15—C14—C13 | 119.5 (3) | C102—C101—Si6 | 122.1 (3) |
C15—C14—H14 | 120.2 | C106—C101—Si6 | 121.1 (3) |
C14—C15—H15 | 119.7 | C106—C101—C102 | 116.7 (4) |
C14—C15—C16 | 120.5 (3) | C101—C102—H102 | 119.4 |
C16—C15—H15 | 119.7 | C103—C102—C101 | 121.2 (4) |
C11—C16—H16 | 119.2 | C103—C102—H102 | 119.4 |
C15—C16—C11 | 121.7 (3) | C102—C103—H103 | 119.5 |
C15—C16—H16 | 119.2 | C102—C103—C104 | 120.9 (4) |
O1—C17—H17A | 109.7 | C104—C103—H103 | 119.5 |
O1—C17—H17B | 109.7 | C103—C104—H104 | 120.3 |
O1—C17—C18 | 109.9 (3) | C105—C104—C103 | 119.3 (4) |
H17A—C17—H17B | 108.2 | C105—C104—H104 | 120.3 |
C18—C17—H17A | 109.7 | C104—C105—H105 | 119.7 |
C18—C17—H17B | 109.7 | C104—C105—C106 | 120.5 (4) |
O2—C18—C17 | 108.6 (3) | C106—C105—H105 | 119.7 |
O2—C18—H18A | 108.5 | C101—C106—H106 | 119.3 |
O2—C18—C19 | 110.9 (3) | C105—C106—C101 | 121.4 (4) |
C17—C18—H18A | 108.5 | C105—C106—H106 | 119.3 |
C17—C18—C19 | 111.6 (3) | C108—C107—Si6 | 108.2 (3) |
C19—C18—H18A | 108.5 | C108—C107—C109 | 108.3 (3) |
O3—C19—C18 | 112.6 (3) | C109—C107—Si6 | 110.9 (3) |
O3—C19—H19A | 109.1 | C110—C107—Si6 | 111.4 (3) |
O3—C19—H19B | 109.1 | C110—C107—C108 | 108.1 (3) |
C18—C19—H19A | 109.1 | C110—C107—C109 | 109.8 (3) |
C18—C19—H19B | 109.1 | C107—C108—H10A | 109.5 |
H19A—C19—H19B | 107.8 | C107—C108—H10B | 109.5 |
O4—Si2—C21 | 111.13 (14) | C107—C108—H10C | 109.5 |
O4—Si2—C27 | 106.00 (18) | H10A—C108—H10B | 109.5 |
O4—Si2—C31 | 105.16 (14) | H10A—C108—H10C | 109.5 |
C21—Si2—C27 | 114.98 (17) | H10B—C108—H10C | 109.5 |
C21—Si2—C31 | 109.21 (15) | C107—C109—H10D | 109.5 |
C31—Si2—C27 | 109.87 (16) | C107—C109—H10E | 109.5 |
O7—Si3—C41 | 109.92 (13) | C107—C109—H10F | 109.5 |
O7—Si3—C47 | 110.83 (16) | H10D—C109—H10E | 109.5 |
O7—Si3—C51 | 103.09 (13) | H10D—C109—H10F | 109.5 |
C41—Si3—C47 | 114.58 (17) | H10E—C109—H10F | 109.5 |
C51—Si3—C41 | 108.31 (14) | C107—C110—H11A | 109.5 |
C51—Si3—C47 | 109.45 (15) | C107—C110—H11B | 109.5 |
C37—O4—Si2 | 131.2 (2) | C107—C110—H11C | 109.5 |
C38—O5—H5A | 109.5 | H11A—C110—H11B | 109.5 |
C39—O6—H6A | 109.5 | H11A—C110—H11C | 109.5 |
C57—O7—Si3 | 124.1 (2) | H11B—C110—H11C | 109.5 |
C58—O8—H8 | 109.5 | C112—C111—Si6 | 118.6 (3) |
C59—O9—H9 | 109.5 | C116—C111—Si6 | 125.0 (3) |
C22—C21—Si2 | 124.4 (3) | C116—C111—C112 | 116.4 (3) |
C26—C21—Si2 | 119.2 (3) | C111—C112—H112 | 118.9 |
C26—C21—C22 | 116.4 (3) | C113—C112—C111 | 122.1 (3) |
C21—C22—H22 | 118.8 | C113—C112—H112 | 118.9 |
C23—C22—C21 | 122.4 (4) | C112—C113—H113 | 120.3 |
C23—C22—H22 | 118.8 | C114—C113—C112 | 119.3 (3) |
C22—C23—H23A | 120.3 | C114—C113—H113 | 120.3 |
C24—C23—C22 | 119.5 (4) | C113—C114—H114 | 119.9 |
C24—C23—H23A | 120.3 | C113—C114—C115 | 120.3 (3) |
C23—C24—H24A | 119.5 | C115—C114—H114 | 119.9 |
C23—C24—C25 | 121.0 (4) | C114—C115—H115 | 119.9 |
C25—C24—H24A | 119.5 | C114—C115—C116 | 120.3 (3) |
C24—C25—H25 | 120.6 | C116—C115—H115 | 119.9 |
C26—C25—C24 | 118.7 (4) | C111—C116—H116 | 119.2 |
C26—C25—H25 | 120.6 | C115—C116—C111 | 121.7 (3) |
C21—C26—C25 | 122.0 (4) | C115—C116—H116 | 119.2 |
C21—C26—H26 | 119.0 | C117—O16—Si6 | 128.8 (6) |
C25—C26—H26 | 119.0 | C118—O17—H17 | 109.5 |
C28—C27—Si2 | 111.1 (3) | C119—O18—H18 | 109.5 |
C29—C27—Si2 | 111.0 (3) | O16—C117—H11D | 109.4 |
C29—C27—C28 | 110.3 (4) | O16—C117—H11E | 109.4 |
C29—C27—C30 | 109.4 (4) | O16—C117—C118 | 111.1 (5) |
C30—C27—Si2 | 107.4 (3) | H11D—C117—H11E | 108.0 |
C30—C27—C28 | 107.4 (4) | C118—C117—H11D | 109.4 |
C27—C28—H28A | 109.5 | C118—C117—H11E | 109.4 |
C27—C28—H28B | 109.5 | O17—C118—C117 | 109.2 (4) |
C27—C28—H28C | 109.5 | O17—C118—H118 | 107.3 |
H28A—C28—H28B | 109.5 | O17—C118—C119 | 111.0 (5) |
H28A—C28—H28C | 109.5 | C117—C118—H118 | 107.3 |
H28B—C28—H28C | 109.5 | C117—C118—C119 | 114.3 (5) |
C27—C29—H29A | 109.5 | C119—C118—H118 | 107.3 |
C27—C29—H29B | 109.5 | O18—C119—C118 | 109.3 (5) |
C27—C29—H29C | 109.5 | O18—C119—H11F | 109.8 |
H29A—C29—H29B | 109.5 | O18—C119—H11G | 109.8 |
H29A—C29—H29C | 109.5 | C118—C119—H11F | 109.8 |
H29B—C29—H29C | 109.5 | C118—C119—H11G | 109.8 |
C27—C30—H30A | 109.5 | H11F—C119—H11G | 108.3 |
C27—C30—H30B | 109.5 | C217—O216—Si6 | 130.8 (10) |
C27—C30—H30C | 109.5 | C218—O217—H217 | 109.5 |
H30A—C30—H30B | 109.5 | C219—O218—H218 | 109.5 |
H30A—C30—H30C | 109.5 | O216—C217—H21A | 110.1 |
H30B—C30—H30C | 109.5 | O216—C217—H21B | 110.1 |
C32—C31—Si2 | 123.2 (2) | O216—C217—C218 | 108.2 (9) |
C36—C31—Si2 | 119.9 (3) | H21A—C217—H21B | 108.4 |
C36—C31—C32 | 116.9 (3) | C218—C217—H21A | 110.1 |
C31—C32—H32 | 119.4 | C218—C217—H21B | 110.1 |
C33—C32—C31 | 121.2 (3) | O217—C218—C217 | 110.7 (10) |
C33—C32—H32 | 119.4 | O217—C218—H21C | 108.2 |
C32—C33—H33A | 119.6 | O217—C218—C219 | 112.2 (8) |
C34—C33—C32 | 120.9 (4) | C217—C218—H21C | 108.2 |
C34—C33—H33A | 119.6 | C219—C218—C217 | 109.3 (9) |
C33—C34—H34A | 120.3 | C219—C218—H21C | 108.2 |
C33—C34—C35 | 119.3 (3) | O218—C219—C218 | 113.8 (9) |
C35—C34—H34A | 120.3 | O218—C219—H21D | 108.8 |
C34—C35—H35 | 120.0 | O218—C219—H21E | 108.8 |
C34—C35—C36 | 120.0 (3) | C218—C219—H21D | 108.8 |
C36—C35—H35 | 120.0 | C218—C219—H21E | 108.8 |
C31—C36—H36 | 119.1 | H21D—C219—H21E | 107.7 |
C35—C36—C31 | 121.8 (3) | O19—Si7—C127 | 112.58 (16) |
C35—C36—H36 | 119.1 | O19—Si7—C131 | 103.02 (14) |
O4—C37—H37A | 109.5 | O19—Si7—C121 | 107.0 (5) |
O4—C37—H37B | 109.5 | O19—Si7—C161 | 111.1 (6) |
O4—C37—C38 | 110.9 (3) | C127—Si7—C161 | 110.1 (7) |
H37A—C37—H37B | 108.0 | C131—Si7—C127 | 109.67 (16) |
C38—C37—H37A | 109.5 | C131—Si7—C161 | 110.2 (10) |
C38—C37—H37B | 109.5 | C121—Si7—C127 | 115.7 (5) |
O5—C38—C37 | 107.0 (3) | C121—Si7—C131 | 108.0 (8) |
O5—C38—H38 | 109.0 | C137—O19—Si7 | 132.8 (2) |
O5—C38—C39 | 111.8 (3) | C138—O20—H20 | 109.5 |
C37—C38—H38 | 109.0 | C139—O21—H21 | 109.5 |
C37—C38—C39 | 111.0 (3) | C128—C127—Si7 | 111.3 (3) |
C39—C38—H38 | 109.0 | C128—C127—C129 | 108.6 (4) |
O6—C39—C38 | 109.3 (3) | C128—C127—C130 | 108.4 (3) |
O6—C39—H39A | 109.8 | C129—C127—Si7 | 107.4 (3) |
O6—C39—H39B | 109.8 | C130—C127—Si7 | 112.8 (3) |
C38—C39—H39A | 109.8 | C130—C127—C129 | 108.2 (3) |
C38—C39—H39B | 109.8 | C127—C128—H12A | 109.5 |
H39A—C39—H39B | 108.3 | C127—C128—H12B | 109.5 |
C42—C41—Si3 | 126.1 (3) | C127—C128—H12C | 109.5 |
C42—C41—C46 | 116.5 (3) | H12A—C128—H12B | 109.5 |
C46—C41—Si3 | 117.5 (2) | H12A—C128—H12C | 109.5 |
C41—C42—H42 | 119.6 | H12B—C128—H12C | 109.5 |
C43—C42—C41 | 120.8 (4) | C127—C129—H12D | 109.5 |
C43—C42—H42 | 119.6 | C127—C129—H12E | 109.5 |
C42—C43—H43 | 119.4 | C127—C129—H12F | 109.5 |
C44—C43—C42 | 121.1 (4) | H12D—C129—H12E | 109.5 |
C44—C43—H43 | 119.4 | H12D—C129—H12F | 109.5 |
C43—C44—H44 | 120.3 | H12E—C129—H12F | 109.5 |
C43—C44—C45 | 119.4 (4) | C127—C130—H13A | 109.5 |
C45—C44—H44 | 120.3 | C127—C130—H13B | 109.5 |
C44—C45—H45 | 120.1 | C127—C130—H13C | 109.5 |
C44—C45—C46 | 119.9 (4) | H13A—C130—H13B | 109.5 |
C46—C45—H45 | 120.1 | H13A—C130—H13C | 109.5 |
C41—C46—H46 | 118.9 | H13B—C130—H13C | 109.5 |
C45—C46—C41 | 122.3 (4) | C132—C131—Si7 | 121.7 (3) |
C45—C46—H46 | 118.9 | C136—C131—Si7 | 122.2 (3) |
C48—C47—Si3 | 107.4 (3) | C136—C131—C132 | 116.1 (3) |
C48—C47—C50 | 107.5 (4) | C131—C132—H132 | 118.8 |
C49—C47—Si3 | 109.5 (3) | C133—C132—C131 | 122.5 (4) |
C49—C47—C48 | 109.8 (4) | C133—C132—H132 | 118.8 |
C49—C47—C50 | 109.3 (4) | C132—C133—H133 | 120.2 |
C50—C47—Si3 | 113.3 (3) | C134—C133—C132 | 119.6 (4) |
C47—C48—H48A | 109.5 | C134—C133—H133 | 120.2 |
C47—C48—H48B | 109.5 | C133—C134—H134 | 120.4 |
C47—C48—H48C | 109.5 | C135—C134—C133 | 119.2 (4) |
H48A—C48—H48B | 109.5 | C135—C134—H134 | 120.4 |
H48A—C48—H48C | 109.5 | C134—C135—H135 | 119.5 |
H48B—C48—H48C | 109.5 | C134—C135—C136 | 120.9 (4) |
C47—C49—H49A | 109.5 | C136—C135—H135 | 119.5 |
C47—C49—H49B | 109.5 | C131—C136—H136 | 119.1 |
C47—C49—H49C | 109.5 | C135—C136—C131 | 121.7 (4) |
H49A—C49—H49B | 109.5 | C135—C136—H136 | 119.1 |
H49A—C49—H49C | 109.5 | O19—C137—H13D | 109.5 |
H49B—C49—H49C | 109.5 | O19—C137—H13E | 109.5 |
C47—C50—H50A | 109.5 | O19—C137—C138 | 110.8 (3) |
C47—C50—H50B | 109.5 | H13D—C137—H13E | 108.1 |
C47—C50—H50C | 109.5 | C138—C137—H13D | 109.5 |
H50A—C50—H50B | 109.5 | C138—C137—H13E | 109.5 |
H50A—C50—H50C | 109.5 | O20—C138—C137 | 113.6 (3) |
H50B—C50—H50C | 109.5 | O20—C138—H138 | 106.3 |
C52—C51—Si3 | 122.1 (2) | O20—C138—C139 | 113.3 (3) |
C52—C51—C56 | 117.4 (3) | C137—C138—H138 | 106.3 |
C56—C51—Si3 | 120.5 (2) | C139—C138—C137 | 110.5 (3) |
C51—C52—H52 | 119.4 | C139—C138—H138 | 106.3 |
C51—C52—C53 | 121.2 (3) | O21—C139—C138 | 113.4 (3) |
C53—C52—H52 | 119.4 | O21—C139—H13F | 108.9 |
C52—C53—H53 | 120.1 | O21—C139—H13G | 108.9 |
C54—C53—C52 | 119.8 (3) | C138—C139—H13F | 108.9 |
C54—C53—H53 | 120.1 | C138—C139—H13G | 108.9 |
C53—C54—H54 | 119.8 | H13F—C139—H13G | 107.7 |
C53—C54—C55 | 120.4 (3) | C122—C121—Si7 | 125.1 (11) |
C55—C54—H54 | 119.8 | C126—C121—Si7 | 118.9 (11) |
C54—C55—H55 | 120.1 | C126—C121—C122 | 116.0 (11) |
C54—C55—C56 | 119.9 (3) | C121—C122—H122 | 119.0 |
C56—C55—H55 | 120.1 | C121—C122—C123 | 122.0 (9) |
C51—C56—H56 | 119.4 | C123—C122—H122 | 119.0 |
C55—C56—C51 | 121.2 (3) | C122—C123—H123 | 119.9 |
C55—C56—H56 | 119.4 | C124—C123—C122 | 120.2 (9) |
O7—C57—H57A | 109.5 | C124—C123—H123 | 119.9 |
O7—C57—H57B | 109.5 | C123—C124—H124 | 119.6 |
O7—C57—C58 | 110.7 (3) | C123—C124—C125 | 120.8 (12) |
H57A—C57—H57B | 108.1 | C125—C124—H124 | 119.6 |
C58—C57—H57A | 109.5 | C124—C125—H125 | 120.1 |
C58—C57—H57B | 109.5 | C124—C125—C126 | 119.9 (9) |
O8—C58—C57 | 108.7 (3) | C126—C125—H125 | 120.1 |
O8—C58—H58 | 108.3 | C121—C126—C125 | 121.0 (9) |
O8—C58—C59 | 111.2 (3) | C121—C126—H126 | 119.5 |
C57—C58—H58 | 108.3 | C125—C126—H126 | 119.5 |
C59—C58—C57 | 112.0 (3) | C162—C161—Si7 | 122.9 (13) |
C59—C58—H58 | 108.3 | C166—C161—Si7 | 119.7 (11) |
O9—C59—C58 | 110.7 (3) | C166—C161—C162 | 116.7 (14) |
O9—C59—H59A | 109.5 | C161—C162—H162 | 119.9 |
O9—C59—H59B | 109.5 | C163—C162—C161 | 120.4 (11) |
C58—C59—H59A | 109.5 | C163—C162—H162 | 119.6 |
C58—C59—H59B | 109.5 | C162—C163—H163 | 120.8 |
H59A—C59—H59B | 108.1 | C164—C163—C162 | 122.1 (10) |
O10—Si4—C61 | 101.61 (15) | C164—C163—H163 | 117.0 |
O10—Si4—C67 | 111.15 (14) | C163—C164—H164 | 120.5 |
O10—Si4—C71 | 109.39 (15) | C163—C164—C165 | 118.9 (14) |
C61—Si4—C67 | 112.05 (16) | C165—C164—H164 | 120.5 |
C61—Si4—C71 | 107.63 (14) | C164—C165—H165 | 121.0 |
C71—Si4—C67 | 114.22 (15) | C164—C165—C166 | 120.5 (11) |
C77—O10—Si4 | 135.4 (2) | C166—C165—H165 | 118.5 |
C78—O11—H11 | 109.5 | C161—C166—C165 | 121.1 (10) |
C79—O12—H12G | 109.5 | C161—C166—H166 | 119.5 |
C62—C61—Si4 | 121.7 (3) | C165—C166—H166 | 119.1 |
C66—C61—Si4 | 120.4 (3) | C141—Si8—C147 | 115.33 (16) |
C66—C61—C62 | 117.9 (4) | C141—Si8—C151 | 110.33 (14) |
C61—C62—H62 | 119.1 | C151—Si8—C147 | 108.96 (15) |
C63—C62—C61 | 121.9 (5) | O22—Si8—C141 | 110.2 (4) |
C63—C62—H62 | 119.1 | O22—Si8—C147 | 100.8 (4) |
C62—C63—H63 | 120.5 | O22—Si8—C151 | 110.9 (3) |
C62—C63—C64 | 119.0 (5) | O32—Si8—C141 | 108.1 (10) |
C64—C63—H63 | 120.5 | O32—Si8—C147 | 111.8 (8) |
C63—C64—H64 | 119.5 | O32—Si8—C151 | 101.4 (8) |
C65—C64—C63 | 121.0 (5) | C142—C141—Si8 | 121.8 (3) |
C65—C64—H64 | 119.5 | C142—C141—C146 | 115.7 (3) |
C64—C65—H65 | 119.8 | C146—C141—Si8 | 122.3 (3) |
C64—C65—C66 | 120.3 (5) | C141—C142—H142 | 119.2 |
C66—C65—H65 | 119.8 | C143—C142—C141 | 121.5 (4) |
C61—C66—C65 | 119.8 (5) | C143—C142—H142 | 119.2 |
C61—C66—H66 | 120.1 | C142—C143—H143 | 119.5 |
C65—C66—H66 | 120.1 | C144—C143—C142 | 121.1 (4) |
C68—C67—Si4 | 111.9 (2) | C144—C143—H143 | 119.5 |
C68—C67—C70 | 108.0 (3) | C143—C144—H144 | 120.4 |
C69—C67—Si4 | 111.0 (3) | C145—C144—C143 | 119.2 (4) |
C69—C67—C68 | 109.0 (3) | C145—C144—H144 | 120.4 |
C69—C67—C70 | 109.7 (3) | C144—C145—H145 | 120.0 |
C70—C67—Si4 | 107.2 (2) | C144—C145—C146 | 120.1 (4) |
C67—C68—H68A | 109.5 | C146—C145—H145 | 120.0 |
C67—C68—H68B | 109.5 | C141—C146—H146 | 118.8 |
C67—C68—H68C | 109.5 | C145—C146—C141 | 122.4 (4) |
H68A—C68—H68B | 109.5 | C145—C146—H146 | 118.8 |
H68A—C68—H68C | 109.5 | C148—C147—Si8 | 111.4 (3) |
H68B—C68—H68C | 109.5 | C148—C147—C150 | 108.3 (4) |
C67—C69—H69A | 109.5 | C149—C147—Si8 | 111.0 (3) |
C67—C69—H69B | 109.5 | C149—C147—C148 | 109.4 (4) |
C67—C69—H69C | 109.5 | C149—C147—C150 | 108.9 (3) |
H69A—C69—H69B | 109.5 | C150—C147—Si8 | 107.8 (3) |
H69A—C69—H69C | 109.5 | C147—C148—H14A | 109.5 |
H69B—C69—H69C | 109.5 | C147—C148—H14B | 109.5 |
C67—C70—H70A | 109.5 | C147—C148—H14C | 109.5 |
C67—C70—H70B | 109.5 | H14A—C148—H14B | 109.5 |
C67—C70—H70C | 109.5 | H14A—C148—H14C | 109.5 |
H70A—C70—H70B | 109.5 | H14B—C148—H14C | 109.5 |
H70A—C70—H70C | 109.5 | C147—C149—H14D | 109.5 |
H70B—C70—H70C | 109.5 | C147—C149—H14E | 109.5 |
C72—C71—Si4 | 124.3 (3) | C147—C149—H14F | 109.5 |
C76—C71—Si4 | 119.3 (3) | H14D—C149—H14E | 109.5 |
C76—C71—C72 | 116.1 (3) | H14D—C149—H14F | 109.5 |
C71—C72—H72 | 118.7 | H14E—C149—H14F | 109.5 |
C73—C72—C71 | 122.5 (4) | C147—C150—H15A | 109.5 |
C73—C72—H72 | 118.7 | C147—C150—H15B | 109.5 |
C72—C73—H73 | 120.3 | C147—C150—H15C | 109.5 |
C72—C73—C74 | 119.4 (4) | H15A—C150—H15B | 109.5 |
C74—C73—H73 | 120.3 | H15A—C150—H15C | 109.5 |
C73—C74—H74 | 120.4 | H15B—C150—H15C | 109.5 |
C75—C74—C73 | 119.2 (4) | C152—C151—Si8 | 119.7 (3) |
C75—C74—H74 | 120.4 | C152—C151—C156 | 116.5 (3) |
C74—C75—H75 | 119.4 | C156—C151—Si8 | 123.5 (2) |
C74—C75—C76 | 121.1 (4) | C151—C152—H152 | 119.2 |
C76—C75—H75 | 119.4 | C151—C152—C153 | 121.7 (3) |
C71—C76—H76 | 119.2 | C153—C152—H152 | 119.2 |
C75—C76—C71 | 121.6 (4) | C152—C153—H153 | 119.9 |
C75—C76—H76 | 119.2 | C154—C153—C152 | 120.2 (4) |
O10—C77—H77A | 110.3 | C154—C153—H153 | 119.9 |
O10—C77—H77B | 110.3 | C153—C154—H154 | 119.8 |
O10—C77—C78 | 107.2 (3) | C153—C154—C155 | 120.3 (3) |
H77A—C77—H77B | 108.5 | C155—C154—H154 | 119.8 |
C78—C77—H77A | 110.3 | C154—C155—H155 | 120.2 |
C78—C77—H77B | 110.3 | C154—C155—C156 | 119.7 (3) |
O11—C78—C77 | 109.6 (3) | C156—C155—H155 | 120.2 |
O11—C78—H78 | 109.7 | C151—C156—H156 | 119.2 |
O11—C78—C79 | 106.7 (3) | C155—C156—C151 | 121.5 (3) |
C77—C78—H78 | 109.7 | C155—C156—H156 | 119.2 |
C79—C78—C77 | 111.5 (3) | C157—O22—Si8 | 122.6 (7) |
C79—C78—H78 | 109.7 | C158—O23—H23 | 109.5 |
O12—C79—C78 | 110.1 (3) | C159—O24—H24 | 109.5 |
O12—C79—H79A | 109.6 | O22—C157—H15D | 109.8 |
O12—C79—H79B | 109.6 | O22—C157—H15E | 109.8 |
C78—C79—H79A | 109.6 | O22—C157—C158 | 109.3 (6) |
C78—C79—H79B | 109.6 | H15D—C157—H15E | 108.3 |
H79A—C79—H79B | 108.2 | C158—C157—H15D | 109.8 |
O13—Si5—C81 | 109.99 (13) | C158—C157—H15E | 109.8 |
O13—Si5—C87 | 104.68 (16) | O23—C158—C157 | 110.3 (4) |
O13—Si5—C91 | 108.68 (14) | O23—C158—H158 | 108.9 |
C81—Si5—C87 | 112.48 (17) | O23—C158—C159 | 107.3 (4) |
C81—Si5—C91 | 109.99 (16) | C157—C158—H158 | 108.9 |
C91—Si5—C87 | 110.83 (18) | C157—C158—C159 | 112.4 (6) |
C97—O13—Si5 | 126.2 (2) | C159—C158—H158 | 108.9 |
C98—O14—H14G | 109.5 | O24—C159—C158 | 112.8 (11) |
C99—O15—H15H | 109.5 | O24—C159—H15F | 109.0 |
C82—C81—Si5 | 122.4 (3) | O24—C159—H15G | 109.0 |
C82—C81—C86 | 116.9 (3) | C158—C159—H15F | 109.0 |
C86—C81—Si5 | 120.7 (3) | C158—C159—H15G | 109.0 |
C81—C82—H82 | 119.5 | H15F—C159—H15G | 107.8 |
C83—C82—C81 | 121.0 (4) | C257—O32—Si8 | 137.0 (19) |
C83—C82—H82 | 119.5 | C258—O33—H33 | 109.5 |
C82—C83—H83 | 119.7 | C259—O34—H34 | 109.5 |
C84—C83—C82 | 120.5 (4) | O32—C257—H25A | 108.6 |
C84—C83—H83 | 119.7 | O32—C257—H25B | 108.6 |
C83—C84—H84 | 120.0 | O32—C257—C258 | 114.7 (18) |
C83—C84—C85 | 120.1 (4) | H25A—C257—H25B | 107.6 |
C85—C84—H84 | 119.9 | C258—C257—H25A | 108.6 |
C84—C85—H85 | 120.1 | C258—C257—H25B | 108.6 |
C84—C85—C86 | 119.8 (4) | O33—C258—C257 | 109.9 (14) |
C86—C85—H85 | 120.1 | O33—C258—H258 | 108.5 |
C81—C86—H86 | 119.2 | O33—C258—C259 | 108.3 (12) |
C85—C86—C81 | 121.6 (4) | C257—C258—H258 | 108.5 |
C85—C86—H86 | 119.2 | C259—C258—C257 | 113.1 (13) |
C88—C87—Si5 | 110.8 (3) | C259—C258—H258 | 108.5 |
C89—C87—Si5 | 110.2 (3) | O34—C259—C258 | 113 (3) |
C89—C87—C88 | 107.2 (4) | O34—C259—H25C | 108.9 |
C89—C87—C90 | 109.7 (4) | O34—C259—H25D | 108.9 |
C90—C87—Si5 | 109.4 (3) | C258—C259—H25C | 108.9 |
C90—C87—C88 | 109.6 (4) | C258—C259—H25D | 108.9 |
C87—C88—H88A | 109.5 | H25C—C259—H25D | 107.8 |
Si1—O1—C17—C18 | 166.7 (2) | C82—C81—C86—C85 | −1.1 (5) |
Si1—C1—C2—C3 | 177.6 (3) | C82—C83—C84—C85 | −0.1 (7) |
Si1—C1—C6—C5 | −177.9 (3) | C83—C84—C85—C86 | −0.3 (7) |
Si1—C11—C12—C13 | 176.2 (3) | C84—C85—C86—C81 | 0.9 (6) |
Si1—C11—C16—C15 | −176.6 (3) | C86—C81—C82—C83 | 0.7 (6) |
O1—Si1—C1—C2 | 157.0 (3) | C87—Si5—O13—C97 | 154.9 (3) |
O1—Si1—C1—C6 | −24.5 (3) | C87—Si5—C81—C82 | 117.6 (3) |
O1—Si1—C7—C8 | −50.5 (2) | C87—Si5—C81—C86 | −62.2 (3) |
O1—Si1—C7—C9 | 68.2 (2) | C87—Si5—C91—C92 | 114.2 (3) |
O1—Si1—C7—C10 | −173.7 (2) | C87—Si5—C91—C96 | −63.9 (3) |
O1—Si1—C11—C12 | −74.8 (3) | C91—Si5—O13—C97 | −86.6 (3) |
O1—Si1—C11—C16 | 102.0 (3) | C91—Si5—C81—C82 | −6.5 (3) |
O1—C17—C18—O2 | −67.1 (3) | C91—Si5—C81—C86 | 173.7 (3) |
O1—C17—C18—C19 | 55.5 (4) | C91—Si5—C87—C88 | −165.3 (3) |
O2—C18—C19—O3 | −57.8 (4) | C91—Si5—C87—C89 | 76.3 (4) |
C1—Si1—O1—C17 | −69.4 (3) | C91—Si5—C87—C90 | −44.4 (4) |
C1—Si1—C7—C8 | −166.3 (2) | C91—C92—C93—C94 | −0.1 (7) |
C1—Si1—C7—C9 | −47.6 (3) | C92—C91—C96—C95 | −1.6 (5) |
C1—Si1—C7—C10 | 70.5 (3) | C92—C93—C94—C95 | −0.5 (7) |
C1—Si1—C11—C12 | 42.8 (3) | C93—C94—C95—C96 | 0.0 (7) |
C1—Si1—C11—C16 | −140.4 (3) | C94—C95—C96—C91 | 1.1 (6) |
C1—C2—C3—C4 | 0.7 (7) | C96—C91—C92—C93 | 1.1 (6) |
C2—C1—C6—C5 | 0.7 (5) | C97—C98—C99—O15 | 62.6 (4) |
C2—C3—C4—C5 | 0.1 (7) | Si6—C101—C102—C103 | −177.4 (3) |
C3—C4—C5—C6 | −0.4 (6) | Si6—C101—C106—C105 | 177.1 (3) |
C4—C5—C6—C1 | 0.0 (5) | Si6—C111—C112—C113 | −178.7 (3) |
C6—C1—C2—C3 | −1.0 (6) | Si6—C111—C116—C115 | 179.3 (3) |
C7—Si1—O1—C17 | 172.6 (2) | Si6—O16—C117—C118 | −91.5 (8) |
C7—Si1—C1—C2 | −89.4 (3) | Si6—O216—C217—C218 | −161.3 (13) |
C7—Si1—C1—C6 | 89.1 (3) | C101—Si6—C107—C108 | 54.2 (3) |
C7—Si1—C11—C12 | 168.3 (2) | C101—Si6—C107—C109 | 172.8 (3) |
C7—Si1—C11—C16 | −15.0 (3) | C101—Si6—C107—C110 | −64.5 (3) |
C11—Si1—O1—C17 | 49.0 (3) | C101—Si6—C111—C112 | −47.0 (3) |
C11—Si1—C1—C2 | 38.5 (3) | C101—Si6—C111—C116 | 133.9 (3) |
C11—Si1—C1—C6 | −142.9 (3) | C101—Si6—O16—C117 | 89.7 (7) |
C11—Si1—C7—C8 | 69.2 (3) | C101—Si6—O216—C217 | 68.7 (16) |
C11—Si1—C7—C9 | −172.1 (2) | C101—C102—C103—C104 | 0.1 (7) |
C11—Si1—C7—C10 | −54.0 (3) | C102—C101—C106—C105 | −0.5 (6) |
C11—C12—C13—C14 | 1.4 (5) | C102—C103—C104—C105 | −0.1 (7) |
C12—C11—C16—C15 | 0.2 (5) | C103—C104—C105—C106 | −0.3 (7) |
C12—C13—C14—C15 | −1.4 (5) | C104—C105—C106—C101 | 0.6 (6) |
C13—C14—C15—C16 | 0.8 (5) | C106—C101—C102—C103 | 0.1 (6) |
C14—C15—C16—C11 | −0.2 (5) | C107—Si6—C101—C102 | 95.6 (3) |
C16—C11—C12—C13 | −0.8 (5) | C107—Si6—C101—C106 | −81.9 (3) |
C17—C18—C19—O3 | −179.2 (3) | C107—Si6—C111—C112 | −170.8 (3) |
Si2—O4—C37—C38 | −131.5 (3) | C107—Si6—C111—C116 | 10.2 (4) |
Si2—C21—C22—C23 | 178.3 (3) | C107—Si6—O16—C117 | −153.2 (6) |
Si2—C21—C26—C25 | −178.7 (3) | C107—Si6—O216—C217 | −174.0 (13) |
Si2—C31—C32—C33 | −179.1 (3) | C111—Si6—C101—C102 | −31.4 (3) |
Si2—C31—C36—C35 | 179.0 (3) | C111—Si6—C101—C106 | 151.1 (3) |
Si3—O7—C57—C58 | 156.1 (3) | C111—Si6—C107—C108 | 176.1 (3) |
Si3—C41—C42—C43 | −179.6 (4) | C111—Si6—C107—C109 | −65.2 (3) |
Si3—C41—C46—C45 | −179.9 (3) | C111—Si6—C107—C110 | 57.5 (3) |
Si3—C51—C52—C53 | −179.8 (3) | C111—Si6—O16—C117 | −31.4 (7) |
Si3—C51—C56—C55 | 179.9 (3) | C111—Si6—O216—C217 | −43.3 (16) |
O4—Si2—C21—C22 | −104.8 (3) | C111—C112—C113—C114 | −0.9 (6) |
O4—Si2—C21—C26 | 73.9 (3) | C112—C111—C116—C115 | 0.2 (5) |
O4—Si2—C27—C28 | 56.4 (3) | C112—C113—C114—C115 | 0.8 (6) |
O4—Si2—C27—C29 | 179.6 (3) | C113—C114—C115—C116 | −0.1 (5) |
O4—Si2—C27—C30 | −60.9 (3) | C114—C115—C116—C111 | −0.4 (5) |
O4—Si2—C31—C32 | −159.7 (3) | C116—C111—C112—C113 | 0.4 (5) |
O4—Si2—C31—C36 | 21.7 (3) | O16—Si6—C101—C102 | −154.4 (4) |
O4—C37—C38—O5 | 179.3 (3) | O16—Si6—C101—C106 | 28.1 (4) |
O4—C37—C38—C39 | −58.4 (4) | O16—Si6—C107—C108 | −65.9 (4) |
O5—C38—C39—O6 | −68.0 (4) | O16—Si6—C107—C109 | 52.8 (4) |
O7—Si3—C41—C42 | 113.4 (3) | O16—Si6—C107—C110 | 175.4 (4) |
O7—Si3—C41—C46 | −65.7 (3) | O16—Si6—C111—C112 | 78.2 (4) |
O7—Si3—C47—C48 | 57.6 (3) | O16—Si6—C111—C116 | −100.8 (4) |
O7—Si3—C47—C49 | 176.7 (3) | O16—C117—C118—O17 | 172.6 (5) |
O7—Si3—C47—C50 | −61.0 (4) | O16—C117—C118—C119 | −62.4 (7) |
O7—Si3—C51—C52 | 157.6 (3) | O17—C118—C119—O18 | 57.0 (6) |
O7—Si3—C51—C56 | −23.1 (3) | C117—C118—C119—O18 | −67.1 (6) |
O7—C57—C58—O8 | −67.7 (4) | O216—Si6—C101—C102 | −144.9 (7) |
O7—C57—C58—C59 | 55.6 (4) | O216—Si6—C101—C106 | 37.6 (7) |
O8—C58—C59—O9 | −64.2 (4) | O216—Si6—C107—C108 | −56.7 (7) |
C21—Si2—O4—C37 | 9.5 (4) | O216—Si6—C107—C109 | 62.0 (7) |
C21—Si2—C27—C28 | −66.8 (4) | O216—Si6—C107—C110 | −175.4 (7) |
C21—Si2—C27—C29 | 56.4 (3) | O216—Si6—C111—C112 | 60.0 (5) |
C21—Si2—C27—C30 | 176.0 (3) | O216—Si6—C111—C116 | −119.1 (5) |
C21—Si2—C31—C32 | −40.4 (3) | O216—C217—C218—O217 | −177.8 (10) |
C21—Si2—C31—C36 | 141.1 (3) | O216—C217—C218—C219 | −53.8 (13) |
C21—C22—C23—C24 | 0.8 (6) | O217—C218—C219—O218 | −51.5 (15) |
C22—C21—C26—C25 | 0.1 (5) | C217—C218—C219—O218 | −174.7 (8) |
C22—C23—C24—C25 | −0.9 (6) | Si7—O19—C137—C138 | 169.6 (3) |
C23—C24—C25—C26 | 0.5 (6) | Si7—C131—C132—C133 | 179.6 (4) |
C24—C25—C26—C21 | −0.1 (6) | Si7—C131—C136—C135 | −179.0 (4) |
C26—C21—C22—C23 | −0.4 (5) | Si7—C121—C122—C123 | 179.0 (12) |
C27—Si2—O4—C37 | −116.1 (4) | Si7—C121—C126—C125 | −179.3 (9) |
C27—Si2—C21—C22 | 15.6 (4) | Si7—C161—C162—C163 | 175.7 (15) |
C27—Si2—C21—C26 | −165.7 (3) | Si7—C161—C166—C165 | −175.9 (14) |
C27—Si2—C31—C32 | 86.6 (3) | O19—Si7—C127—C128 | 174.8 (3) |
C27—Si2—C31—C36 | −92.0 (3) | O19—Si7—C127—C129 | 56.1 (3) |
C31—Si2—O4—C37 | 127.5 (4) | O19—Si7—C127—C130 | −63.1 (3) |
C31—Si2—C21—C22 | 139.6 (3) | O19—Si7—C131—C132 | 153.8 (3) |
C31—Si2—C21—C26 | −41.7 (3) | O19—Si7—C131—C136 | −26.1 (4) |
C31—Si2—C27—C28 | 169.5 (3) | O19—Si7—C121—C122 | 120.3 (15) |
C31—Si2—C27—C29 | −67.3 (3) | O19—Si7—C121—C126 | −58.6 (17) |
C31—Si2—C27—C30 | 52.3 (3) | O19—C137—C138—O20 | −80.1 (4) |
C31—C32—C33—C34 | −0.3 (6) | O19—C137—C138—C139 | 48.4 (4) |
C32—C31—C36—C35 | 0.3 (6) | O20—C138—C139—O21 | −56.3 (4) |
C32—C33—C34—C35 | 1.3 (6) | C127—Si7—O19—C137 | 45.0 (4) |
C33—C34—C35—C36 | −1.5 (6) | C127—Si7—C131—C132 | −86.1 (4) |
C34—C35—C36—C31 | 0.7 (6) | C127—Si7—C131—C136 | 94.0 (4) |
C36—C31—C32—C33 | −0.5 (6) | C127—Si7—C121—C122 | −6 (2) |
C37—C38—C39—O6 | 172.5 (3) | C127—Si7—C121—C126 | 175.1 (12) |
C41—Si3—O7—C57 | −54.6 (3) | C131—Si7—O19—C137 | 163.0 (3) |
C41—Si3—C47—C48 | −177.4 (3) | C131—Si7—C127—C128 | 60.7 (3) |
C41—Si3—C47—C49 | −58.2 (3) | C131—Si7—C127—C129 | −58.0 (3) |
C41—Si3—C47—C50 | 64.1 (4) | C131—Si7—C127—C130 | −177.1 (3) |
C41—Si3—C51—C52 | 41.1 (3) | C131—Si7—C121—C122 | −129.4 (16) |
C41—Si3—C51—C56 | −139.5 (3) | C131—Si7—C121—C126 | 51.8 (15) |
C41—C42—C43—C44 | −0.1 (7) | C131—C132—C133—C134 | −0.9 (8) |
C42—C41—C46—C45 | 1.0 (5) | C132—C131—C136—C135 | 1.1 (7) |
C42—C43—C44—C45 | 0.4 (7) | C132—C133—C134—C135 | 1.6 (8) |
C43—C44—C45—C46 | 0.0 (6) | C133—C134—C135—C136 | −1.0 (8) |
C44—C45—C46—C41 | −0.7 (6) | C134—C135—C136—C131 | −0.4 (8) |
C46—C41—C42—C43 | −0.6 (6) | C136—C131—C132—C133 | −0.5 (7) |
C47—Si3—O7—C57 | 73.1 (3) | C137—C138—C139—O21 | 175.0 (3) |
C47—Si3—C41—C42 | −12.2 (4) | C121—Si7—O19—C137 | −83.2 (8) |
C47—Si3—C41—C46 | 168.8 (3) | C121—Si7—C127—C128 | −61.8 (8) |
C47—Si3—C51—C52 | −84.4 (3) | C121—Si7—C127—C129 | 179.5 (8) |
C47—Si3—C51—C56 | 94.9 (3) | C121—Si7—C127—C130 | 60.4 (8) |
C51—Si3—O7—C57 | −169.9 (3) | C121—Si7—C131—C132 | 40.9 (5) |
C51—Si3—C41—C42 | −134.7 (3) | C121—Si7—C131—C136 | −139.1 (5) |
C51—Si3—C41—C46 | 46.3 (3) | C121—C122—C123—C124 | 3 (2) |
C51—Si3—C47—C48 | −55.5 (3) | C122—C121—C126—C125 | 2 (2) |
C51—Si3—C47—C49 | 63.7 (3) | C122—C123—C124—C125 | −4 (3) |
C51—Si3—C47—C50 | −174.1 (3) | C123—C124—C125—C126 | 3 (3) |
C51—C52—C53—C54 | −0.3 (5) | C124—C125—C126—C121 | −2.3 (19) |
C52—C51—C56—C55 | −0.8 (5) | C126—C121—C122—C123 | −2 (2) |
C52—C53—C54—C55 | −0.2 (6) | C161—Si7—O19—C137 | −79.1 (11) |
C53—C54—C55—C56 | 0.3 (6) | C161—Si7—C127—C128 | −60.7 (10) |
C54—C55—C56—C51 | 0.3 (5) | C161—Si7—C127—C129 | −179.4 (10) |
C56—C51—C52—C53 | 0.8 (5) | C161—Si7—C127—C130 | 61.5 (10) |
C57—C58—C59—O9 | 174.0 (3) | C161—Si7—C131—C132 | 35.3 (6) |
Si4—O10—C77—C78 | −164.8 (3) | C161—Si7—C131—C136 | −144.6 (6) |
Si4—C61—C62—C63 | 174.3 (4) | C161—C162—C163—C164 | −4 (3) |
Si4—C61—C66—C65 | −174.8 (4) | C162—C161—C166—C165 | −5 (3) |
Si4—C71—C72—C73 | −172.6 (3) | C162—C163—C164—C165 | 3 (3) |
Si4—C71—C76—C75 | 172.5 (4) | C163—C164—C165—C166 | −3 (3) |
O10—Si4—C61—C62 | −163.7 (3) | C164—C165—C166—C161 | 4 (3) |
O10—Si4—C61—C66 | 12.1 (3) | C166—C161—C162—C163 | 5 (3) |
O10—Si4—C67—C68 | −171.4 (3) | Si8—C141—C142—C143 | −175.7 (4) |
O10—Si4—C67—C69 | 66.7 (3) | Si8—C141—C146—C145 | 174.8 (4) |
O10—Si4—C67—C70 | −53.1 (3) | Si8—C151—C152—C153 | 174.3 (3) |
O10—Si4—C71—C72 | −177.6 (3) | Si8—C151—C156—C155 | −173.8 (3) |
O10—Si4—C71—C76 | 8.9 (4) | Si8—O22—C157—C158 | 130.4 (8) |
O10—C77—C78—O11 | 73.7 (4) | Si8—O32—C257—C258 | 151 (2) |
O10—C77—C78—C79 | −168.4 (3) | C141—Si8—C147—C148 | −51.9 (4) |
O11—C78—C79—O12 | −66.7 (4) | C141—Si8—C147—C149 | 70.3 (3) |
C61—Si4—O10—C77 | −164.3 (3) | C141—Si8—C147—C150 | −170.5 (3) |
C61—Si4—C67—C68 | −58.5 (3) | C141—Si8—C151—C152 | 121.7 (3) |
C61—Si4—C67—C69 | 179.6 (3) | C141—Si8—C151—C156 | −63.6 (3) |
C61—Si4—C67—C70 | 59.8 (3) | C141—Si8—O22—C157 | −41.2 (7) |
C61—Si4—C71—C72 | 72.8 (3) | C141—Si8—O32—C257 | −28 (3) |
C61—Si4—C71—C76 | −100.7 (3) | C141—C142—C143—C144 | 0.8 (7) |
C61—C62—C63—C64 | 0.1 (7) | C142—C141—C146—C145 | −1.4 (6) |
C62—C61—C66—C65 | 1.2 (6) | C142—C143—C144—C145 | −1.3 (7) |
C62—C63—C64—C65 | 1.8 (8) | C143—C144—C145—C146 | 0.4 (7) |
C63—C64—C65—C66 | −2.2 (9) | C144—C145—C146—C141 | 1.0 (7) |
C64—C65—C66—C61 | 0.7 (8) | C146—C141—C142—C143 | 0.5 (6) |
C66—C61—C62—C63 | −1.6 (6) | C147—Si8—C141—C142 | −128.6 (3) |
C67—Si4—O10—C77 | −44.9 (4) | C147—Si8—C141—C146 | 55.4 (4) |
C67—Si4—C61—C62 | 77.6 (3) | C147—Si8—C151—C152 | −110.7 (3) |
C67—Si4—C61—C66 | −106.6 (3) | C147—Si8—C151—C156 | 64.0 (3) |
C67—Si4—C71—C72 | −52.3 (4) | C147—Si8—O22—C157 | −163.5 (6) |
C67—Si4—C71—C76 | 134.2 (3) | C147—Si8—O32—C257 | −156 (2) |
C71—Si4—O10—C77 | 82.1 (4) | C151—Si8—C141—C142 | −4.6 (4) |
C71—Si4—C61—C62 | −48.8 (3) | C151—Si8—C141—C146 | 179.4 (3) |
C71—Si4—C61—C66 | 127.0 (3) | C151—Si8—C147—C148 | −176.6 (3) |
C71—Si4—C67—C68 | 64.2 (3) | C151—Si8—C147—C149 | −54.4 (3) |
C71—Si4—C67—C69 | −57.7 (3) | C151—Si8—C147—C150 | 64.8 (3) |
C71—Si4—C67—C70 | −177.5 (2) | C151—Si8—O22—C157 | 81.2 (7) |
C71—C72—C73—C74 | −0.8 (7) | C151—Si8—O32—C257 | 88 (3) |
C72—C71—C76—C75 | −1.6 (7) | C151—C152—C153—C154 | −0.1 (6) |
C72—C73—C74—C75 | 1.0 (7) | C152—C151—C156—C155 | 1.1 (5) |
C73—C74—C75—C76 | −1.6 (8) | C152—C153—C154—C155 | 0.9 (6) |
C74—C75—C76—C71 | 1.9 (9) | C153—C154—C155—C156 | −0.6 (6) |
C76—C71—C72—C73 | 1.1 (6) | C154—C155—C156—C151 | −0.4 (5) |
C77—C78—C79—O12 | 173.7 (3) | C156—C151—C152—C153 | −0.8 (6) |
Si5—O13—C97—C98 | −161.7 (2) | O22—Si8—C141—C142 | 118.2 (4) |
Si5—C81—C82—C83 | −179.1 (3) | O22—Si8—C141—C146 | −57.8 (5) |
Si5—C81—C86—C85 | 178.8 (3) | O22—Si8—C147—C148 | 66.7 (5) |
Si5—C91—C92—C93 | −177.1 (3) | O22—Si8—C147—C149 | −171.1 (5) |
Si5—C91—C96—C95 | 176.5 (3) | O22—Si8—C147—C150 | −51.9 (5) |
O13—Si5—C81—C82 | −126.1 (3) | O22—Si8—C151—C152 | −0.7 (5) |
O13—Si5—C81—C86 | 54.0 (3) | O22—Si8—C151—C156 | 174.0 (5) |
O13—Si5—C87—C88 | −48.3 (3) | O22—C157—C158—O23 | −63.1 (8) |
O13—Si5—C87—C89 | −166.7 (3) | O22—C157—C158—C159 | 56.6 (7) |
O13—Si5—C87—C90 | 72.6 (4) | O23—C158—C159—O24 | −65.2 (12) |
O13—Si5—C91—C92 | −0.4 (3) | C157—C158—C159—O24 | 173.4 (12) |
O13—Si5—C91—C96 | −178.4 (3) | O32—Si8—C141—C142 | 105.5 (8) |
O13—C97—C98—O14 | −62.3 (4) | O32—Si8—C141—C146 | −70.5 (8) |
O13—C97—C98—C99 | 60.4 (4) | O32—Si8—C147—C148 | 72.1 (11) |
O14—C98—C99—O15 | −173.5 (2) | O32—Si8—C147—C149 | −165.7 (11) |
C81—Si5—O13—C97 | 33.8 (3) | O32—Si8—C147—C150 | −46.5 (11) |
C81—Si5—C87—C88 | 71.1 (4) | O32—Si8—C151—C152 | 7.3 (10) |
C81—Si5—C87—C89 | −47.3 (4) | O32—Si8—C151—C156 | −178.0 (10) |
C81—Si5—C87—C90 | −168.0 (3) | O32—C257—C258—O33 | −170.4 (17) |
C81—Si5—C91—C92 | −120.8 (3) | O32—C257—C258—C259 | −49 (2) |
C81—Si5—C91—C96 | 61.1 (3) | O33—C258—C259—O34 | −49 (3) |
C81—C82—C83—C84 | −0.1 (7) | C257—C258—C259—O34 | −172 (3) |
D—H···A | D—H | H···A | D···A | D—H···A |
O2—H2···O18 | 0.84 | 2.03 | 2.841 (4) | 163 |
O2—H2···O218 | 0.84 | 2.11 | 2.828 (7) | 143 |
O3—H3A···O23 | 0.84 | 1.93 | 2.752 (4) | 165 |
O5—H5A···O9 | 0.84 | 1.81 | 2.651 (4) | 176 |
O6—H6A···O14i | 0.84 | 1.90 | 2.707 (3) | 161 |
O8—H8···O6 | 0.84 | 2.06 | 2.814 (3) | 149 |
O9—H9···O24 | 0.84 | 2.06 | 2.84 (2) | 154 |
O11—H11···O6 | 0.84 | 1.95 | 2.782 (4) | 174 |
O12—H12G···O24 | 0.84 | 2.33 | 3.00 (2) | 137 |
O14—H14G···O13 | 0.84 | 2.44 | 2.839 (3) | 110 |
O15—H15H···O21ii | 0.84 | 1.85 | 2.676 (3) | 169 |
O17—H17···O12 | 0.84 | 1.83 | 2.615 (4) | 156 |
O18—H18···O15 | 0.84 | 1.93 | 2.745 (4) | 164 |
C119—H11G···O3 | 0.99 | 2.39 | 3.222 (7) | 141 |
O218—H218···O15 | 0.84 | 1.76 | 2.599 (8) | 176 |
O20—H20···O5 | 0.84 | 2.00 | 2.794 (4) | 157 |
O21—H21···O8 | 0.84 | 1.89 | 2.727 (4) | 174 |
C138—H138···O3i | 1.00 | 2.50 | 3.320 (5) | 139 |
O23—H23···O17 | 0.84 | 1.87 | 2.697 (5) | 169 |
O24—H24···O2 | 0.84 | 1.96 | 2.78 (2) | 163 |
Symmetry codes: (i) x−1, y, z; (ii) x+1, y, z. |
Funding information
Financial support from the State University of New York for acquisition and maintenance of the X-ray diffractometer is gratefully acknowledged.
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