Hydrogen-bonded layered structures in two bis­(tert-butyl­dimethyl­silyl­oxy)-substituted cyclic diol derivatives

2,6-Bis(tert-butyl­dimethyl­silyl­oxy)-9-oxabicyclo­[3.3.1]nonane-3,7-diol, C₂₀H₄₂O₅Si₂, (I), and 4,8-bis­(tert-butyl­dimethyl­silyl­oxy)-2,6-dioxatricyclo­[3.3.1^3,7]decane-1,3-diol, C₂₀H₄₀O₆Si₂, (II), form layered structures that differ in the way the mol­ecules are connected within each layer. The endocyclic O atom common to both structures plays an active role in the hydrogen-bonding network, whereas the second oxygen bridge in (II) does not participate in any inter­action. This work reports the first structural analysis of two bis­(tert-butyl­dimethyl­silyl­oxy)-substituted cyclic diol derivatives and provides insight into the influence of small changes in the mol­ecular structure on the supra­molecular aggregation. The unbalanced hydrogen-bond acceptor/donor ratio, greater in (II) than in (I), does not result in the inclusion of water mol­ecules in the structure.

S1. Comment

Compounds (I) and (II) were synthesized as intermediate products within a project related to the synthesis of universal templates for the resolution of racemic mixtures of secondary alcohols (Carrasco et al., 2002; López-Rodríguez & Foces-Foces, 2007). A search of the Cambridge Structural Database (Allen 2002; Version 5.29, January 2008 update) for bicyclic ether-bridged derivatives with tert-butyldimethylsilyloxy side substituents (OTBS hereinafter) gave just two oxa-bicyclic structures [refcodes WAXXIC (Takahashi et al., 2000) and KEKPIA (Paquette & Zhang, 2006)] with only one OTBS side substituent and different relative disposition of the two hydroxy groups. In the latter, apart from a bulky methoxybenzyloxy substituent, the OTBS substituent displays a quasi-axial disposition, in contrast to the equatorial configuration in the former and in the present compounds (Fig. 1). Furthermore, only one dioxatricycle derivative has been reported (OXADMN; 1,3,5,7-tetramethoxy -2,6-dioxatricyclo[3.3.1^3,7]decane; Kanters & Hulscher, 1968). Considering these facts, the structural characterization of compounds (I) and (II) was undertaken, and the effect of including a second oxygen bridge on the molecular structure, the conformational changes and the associated packing features were analysed.

Both compounds crystallize with two independent molecules in the asymmetric unit. The superposition of the two molecules is shown in Fig. 2. The major discrepancies between the two compounds concern the orientation of the hydroxy H atom and the substituents at the Si atoms with respect to the central core (Tables 1 and 3). The C atoms of the methyl and tert-butyl groups at Si1 and Si2 (atoms C11–C14 and C17–C20, respectively, for molecules A and B) adopt the anticlinal and antiperiplanar conformations in (I), while in (II) the synclinal conformation is also observed. The main differences in the core between (I) and (II) are due to the inclusion of an additional ether bridge between C3 and C7 [atom O6 in Fig. 1(b)] that results in the shortening of the C3···C7 distance [2.413 (2) and 2.420 (2) Å in (IIA) and (IIB) versus 3.133 (11) Å in WAXXIC and 3.187 (4) and 3.182 (4) Å in (IA) and (IB), respectively] followed by an increase in the puckering of the O1/C1–C5 and O1/C1/C5–C8 rings of the core [with total puckering amplitudes of 0.625 (1) versus 0.557 (6) Å on average in (II) and (I), respectively (Cremer & Pople, 1975)]. Significant differences in the C—OH distances and in the C—C—C angles around atoms C3 and C7 have also been observed (Tables 1 and 3).

The crystal structures are characterized by two-dimensional hydrogen-bonding networks, although the supramolecular aggregations differ from each other. In (I), each independent molecule is engaged in similar hydrogen-bond interactions, forming sheets of only molecules A (Fig. 3a) or molecules B parallel to the bc plane. One hydoxy group, O2, acts as a donor and an acceptor of hydrogen bonds, while the other, O3, acts as a donor only. The former links molecules (hydroxy-to-ether contacts) along the c axis into C(6) chains (Bernstein et al., 1995) that are connected through hydroxy-to-hydroxy contacts to result in sheets of R⁴₄(16) and R⁴₄(28) edge-fused rings (Table 2 and Fig. 3a).

In contrast to this situation, in (II), the two independent molecules and their symmetry-related molecules are associated into one layer through different hydrogen bonds (Table 4 and Fig. 3b). The four hydroxy groups are in different environments. Whereas both hydroxy groups in molecule B act as hydrogen-bond donors to O atoms, in molecule A atom O2 acts simultaneously as a donor and an acceptor, and the hydroxy atom O3 seems to be not sterically accessible and does not participate in any hydrogen-bonding interactions either as a donor or as an acceptor. Similar C(6) chains to that in (I) but involving alternately molecules A and B are observed along the c axis. The O3/H3O group of molecule B connects these chains into sheets of R⁴₄(24) and R⁸₈(40) edge-fused rings (Table 4 and Fig. 3b). The other O6 bridge, in both molecules A and B, is not engaged in any hydrogen-bond contact. The crystal structures are built up of sheets of molecules A or molecules B that stack alternately by translation in the [100] direction in (I) (Fig. 4a) while, in (II), the single sheet (molecules A and B) extends by translation along [100] (Fig. 4b).

The volumes per atom in (I) and (II) differ with a value of 23.2 ų per non-H atom for (I) and 21.4 ų for (II), reflecting the differences in the hydrogen-bonding motifs.

Related literature

For related literature, see: Allen (2002); Bernstein et al. (1995); Carrasco et al. (2002); Cremer & Pople (1975); Kanters & Hulscher (1968); López-Rodríguez & Foces-Foces (2007); Paquette & Zhang (2006); Takahashi et al. (2000).

S2. Experimental

Compounds (I) and (II) were obtained as intermediate products in the synthesis of universal templates for the resolution of racemic mixtures of secondary alcohols (Carrasco et al., 2002). Both compounds were crystallized from a carbon tetrachloride/isopropyl ether mixture (50%). No structural phase transition was detected when cooling the samples from room temperature to 150 K.

S3. Refinement

All H atoms were located in difference Fourier maps and they were subsequently refined using a riding model [C—H = 0.98 (CH₃), 0.99 (CH₂) or 1.00 Å (CH), O—H = 0.84 Å and U_iso(H) = 1.2U_eq(C,O)].

Computing details

For both compounds, data collection: COLLECT (Nonius, 2000); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: HKL DENZO and SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: WinGX (Farrugia, 1999) and PLATON (Spek, 2003).

Figures

	Fig. 1. The molecular structures of (a) compound (I) and (b) compound (II). Only molecule A is represented, showing displacement ellipsoids at the 30% probability level.
	Fig. 2. Superposition of the two independent molecules in (a) (I) and (b) (II), using atoms O1, C1 and C5 as common reference. Molecule A, in both compounds, is represented with filled bonds.
	Fig. 3. Comparison of the supramolecular aggregation of (a) molecules A in (I) and (b) molecules A and B in (II). H atoms not involved in the hydrogen-bond interactions have been omitted for clarity.
	Fig. 4. Packing diagrams. (a) Compound (I), showing the alternation of sheets formed by molecules B, A and B, respectively. (b) Compound (II), showing two single sheets related by translation. H atoms not involved in the hydrogen-bond interactions have been omitted for clarity.

(I) 2,6-Bis(tert-butyldimethylsilyloxy)-9-oxabicyclo[3.3.1]nonane-3,7-diol

Crystal data

C20H42O5Si2	Z = 8
Mr = 418.72	F(000) = 1840
Monoclinic, P21/c	Dx = 1.108 Mg m^−3
Hall symbol: -P 2ybc	Mo Kα radiation, λ = 0.71070 Å
a = 27.7623 (6) Å	θ = 1.6–25.0°
b = 14.3663 (3) Å	µ = 0.17 mm^−1
c = 12.6076 (2) Å	T = 150 K
β = 93.491 (1)°	Block, colourless
V = 5019.10 (17) Å^3	0.60 × 0.37 × 0.20 mm

Data collection

Nonius KappaCCD diffractometer	10858 independent reflections
Radiation source: fine-focus sealed tube	9400 reflections with I > 2σ(I)
Horizontally mounted graphite crystal monochromator	Rint = 0.059
Detector resolution: 9 pixels mm^-1	θmax = 27.0°, θmin = 1.5°
ϕ and ω scans	h = −35→35
Absorption correction: multi-scan (PLATON; Spek, 2003)	k = −18→18
Tmin = 0.907, Tmax = 0.968	l = −15→16
33413 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.063	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.157	H-atom parameters constrained
S = 1.10	w = 1/[σ^2(Fo^2) + (0.0367P)^2 + 8.9514P] where P = (Fo^2 + 2Fc^2)/3
10858 reflections	(Δ/σ)max = 0.008
492 parameters	Δρmax = 1.03 e Å^−3
0 restraints	Δρmin = −0.35 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Si1A	0.62322 (2)	0.15526 (5)	0.09256 (5)	0.01736 (15)
Si2A	0.34763 (3)	0.07225 (5)	0.38218 (6)	0.02451 (17)
O1A	0.51852 (6)	0.18552 (12)	0.38922 (13)	0.0192 (4)
O2A	0.50439 (7)	0.32565 (11)	0.11015 (13)	0.0205 (4)
H2OA	0.5147	0.3111	0.0511	0.025*
O3A	0.43981 (7)	−0.04056 (13)	0.26272 (16)	0.0294 (4)
H3OA	0.4501	−0.0702	0.3169	0.035*
O4A	0.56665 (6)	0.15594 (12)	0.12753 (14)	0.0203 (4)
O5A	0.39227 (7)	0.12948 (13)	0.32984 (15)	0.0261 (4)
C1A	0.54145 (9)	0.13644 (16)	0.30629 (19)	0.0168 (5)
H1A	0.5751	0.1216	0.3341	0.020*
C2A	0.54543 (9)	0.20279 (16)	0.21221 (18)	0.0150 (5)
H2A	0.5670	0.2556	0.2357	0.018*
C3A	0.49722 (9)	0.24283 (16)	0.17101 (19)	0.0168 (5)
H3A	0.4796	0.1956	0.1250	0.020*
C4A	0.46592 (9)	0.27055 (17)	0.2616 (2)	0.0200 (5)
H4A1	0.4319	0.2736	0.2335	0.024*
H4A2	0.4754	0.3338	0.2860	0.024*
C5A	0.46904 (9)	0.20507 (17)	0.35777 (19)	0.0186 (5)
H5A	0.4555	0.2399	0.4179	0.022*
C6A	0.44193 (9)	0.11188 (17)	0.3488 (2)	0.0208 (5)
H6A	0.4467	0.0789	0.4185	0.025*
C7A	0.46139 (9)	0.04997 (17)	0.2636 (2)	0.0214 (5)
H7A	0.4536	0.0797	0.1929	0.026*
C8A	0.51610 (9)	0.04350 (17)	0.2809 (2)	0.0223 (5)
H8A1	0.5292	0.0171	0.2161	0.027*
H8A2	0.5240	−0.0003	0.3400	0.027*
C9A	0.62242 (11)	0.1977 (2)	−0.0462 (2)	0.0296 (6)
H9A1	0.6546	0.1903	−0.0732	0.036*
H9A2	0.6134	0.2636	−0.0484	0.036*
H9A3	0.5989	0.1617	−0.0904	0.036*
C10A	0.66117 (10)	0.2319 (2)	0.1827 (2)	0.0323 (7)
H0A1	0.6484	0.2955	0.1790	0.039*
H0A2	0.6944	0.2317	0.1606	0.039*
H0A3	0.6606	0.2088	0.2557	0.039*
C11A	0.64595 (11)	0.0314 (2)	0.0980 (2)	0.0282 (6)
C12A	0.64914 (13)	−0.0052 (2)	0.2133 (3)	0.0411 (8)
H21A	0.6624	−0.0685	0.2148	0.049*
H22A	0.6168	−0.0061	0.2406	0.049*
H23A	0.6702	0.0356	0.2579	0.049*
C13A	0.61177 (14)	−0.0303 (2)	0.0290 (3)	0.0453 (9)
H31A	0.6103	−0.0076	−0.0444	0.054*
H32A	0.5795	−0.0283	0.0561	0.054*
H33A	0.6237	−0.0945	0.0311	0.054*
C14A	0.69673 (12)	0.0273 (3)	0.0560 (3)	0.0444 (8)
H41A	0.6956	0.0509	−0.0170	0.053*
H42A	0.7082	−0.0372	0.0573	0.053*
H43A	0.7188	0.0658	0.1011	0.053*
C15A	0.31010 (14)	0.0192 (3)	0.2708 (3)	0.0504 (9)
H51A	0.2994	0.0678	0.2201	0.060*
H52A	0.2819	−0.0110	0.2988	0.060*
H53A	0.3292	−0.0272	0.2348	0.060*
C16A	0.37054 (11)	−0.0187 (2)	0.4781 (3)	0.0352 (7)
H61A	0.3432	−0.0496	0.5089	0.042*
H62A	0.3910	0.0105	0.5348	0.042*
H63A	0.3894	−0.0646	0.4409	0.042*
C17A	0.31292 (12)	0.1623 (2)	0.4541 (3)	0.0401 (8)
C18A	0.29603 (14)	0.2400 (3)	0.3748 (4)	0.0599 (12)
H81A	0.2768	0.2124	0.3151	0.072*
H82A	0.3243	0.2712	0.3483	0.072*
H83A	0.2764	0.2853	0.4110	0.072*
C19A	0.34559 (15)	0.2047 (3)	0.5444 (3)	0.0518 (10)
H91A	0.3286	0.2561	0.5770	0.062*
H92A	0.3753	0.2281	0.5156	0.062*
H93A	0.3537	0.1570	0.5980	0.062*
C20A	0.26874 (14)	0.1188 (3)	0.5028 (4)	0.0638 (13)
H04A	0.2795	0.0718	0.5554	0.077*
H05A	0.2480	0.0895	0.4466	0.077*
H06A	0.2506	0.1674	0.5375	0.077*
Si1B	0.12197 (3)	0.16793 (5)	0.14236 (6)	0.02083 (16)
Si2B	−0.15879 (3)	0.11154 (5)	0.40235 (6)	0.02052 (16)
O1B	0.01605 (6)	0.21637 (12)	0.42603 (13)	0.0202 (4)
O2B	0.00297 (7)	0.33216 (12)	0.13249 (13)	0.0212 (4)
H2OB	0.0111	0.3112	0.0740	0.025*
O3B	−0.06514 (7)	−0.01407 (13)	0.33145 (19)	0.0352 (5)
H3OB	−0.0446	−0.0571	0.3337	0.042*
O4B	0.06432 (6)	0.16380 (12)	0.16927 (14)	0.0204 (4)
O5B	−0.11080 (6)	0.16570 (13)	0.36060 (15)	0.0241 (4)
C1B	0.03861 (9)	0.15929 (17)	0.34878 (19)	0.0187 (5)
H1B	0.0722	0.1461	0.3782	0.022*
C2B	0.04312 (9)	0.21779 (16)	0.24851 (18)	0.0164 (5)
H2B	0.0650	0.2715	0.2668	0.020*
C3B	−0.00483 (9)	0.25627 (16)	0.20325 (18)	0.0161 (5)
H3B	−0.0233	0.2059	0.1639	0.019*
C4B	−0.03499 (9)	0.29478 (17)	0.2909 (2)	0.0199 (5)
H4B1	−0.0234	0.3582	0.3096	0.024*
H4B2	−0.0690	0.3001	0.2628	0.024*
C5B	−0.03343 (9)	0.23616 (17)	0.39119 (19)	0.0192 (5)
H5B	−0.0470	0.2755	0.4477	0.023*
C6B	−0.06192 (9)	0.14477 (18)	0.3881 (2)	0.0199 (5)
H6B	−0.0600	0.1182	0.4616	0.024*
C7B	−0.04169 (9)	0.07275 (17)	0.3143 (2)	0.0219 (5)
H7B	−0.0488	0.0927	0.2390	0.026*
C8B	0.01289 (9)	0.06545 (17)	0.3362 (2)	0.0226 (5)
H8B1	0.0266	0.0310	0.2770	0.027*
H8B2	0.0196	0.0287	0.4019	0.027*
C9B	0.13529 (12)	0.2831 (2)	0.0841 (3)	0.0417 (8)
H9B1	0.1697	0.2868	0.0713	0.050*
H9B2	0.1271	0.3325	0.1336	0.050*
H9B3	0.1161	0.2909	0.0168	0.050*
C10B	0.16158 (12)	0.1523 (3)	0.2656 (3)	0.0552 (11)
H01B	0.1953	0.1486	0.2472	0.066*
H02B	0.1527	0.0947	0.3013	0.066*
H03B	0.1576	0.2053	0.3132	0.066*
C11B	0.12892 (11)	0.0693 (2)	0.0465 (3)	0.0348 (7)
C12B	0.1096 (2)	−0.0193 (3)	0.0946 (5)	0.0892 (19)
H21B	0.0813	−0.0045	0.1342	0.107*
H22B	0.1347	−0.0470	0.1428	0.107*
H23B	0.1005	−0.0636	0.0377	0.107*
C13B	0.10054 (17)	0.0907 (4)	−0.0586 (3)	0.0699 (14)
H31B	0.1024	0.0374	−0.1066	0.084*
H32B	0.1143	0.1458	−0.0913	0.084*
H33B	0.0667	0.1028	−0.0451	0.084*
C14B	0.18200 (13)	0.0568 (3)	0.0234 (3)	0.0547 (10)
H41B	0.1846	0.0116	−0.0342	0.066*
H42B	0.2001	0.0341	0.0874	0.066*
H43B	0.1953	0.1166	0.0022	0.066*
C15B	−0.18606 (12)	0.0388 (2)	0.2926 (3)	0.0385 (7)
H51B	−0.1625	−0.0076	0.2719	0.046*
H52B	−0.1952	0.0785	0.2315	0.046*
H53B	−0.2148	0.0073	0.3165	0.046*
C16B	−0.14243 (11)	0.0394 (2)	0.5218 (2)	0.0338 (7)
H61B	−0.1253	0.0779	0.5759	0.041*
H62B	−0.1216	−0.0121	0.5020	0.041*
H63B	−0.1718	0.0143	0.5502	0.041*
C17B	−0.20159 (10)	0.2073 (2)	0.4374 (2)	0.0295 (6)
C18B	−0.21000 (12)	0.2745 (2)	0.3432 (3)	0.0414 (8)
H81B	−0.2311	0.3254	0.3634	0.050*
H82B	−0.2253	0.2409	0.2824	0.050*
H83B	−0.1790	0.3000	0.3238	0.050*
C19B	−0.18007 (15)	0.2617 (2)	0.5336 (3)	0.0481 (9)
H91B	−0.2010	0.3147	0.5477	0.058*
H92B	−0.1479	0.2844	0.5186	0.058*
H93B	−0.1776	0.2209	0.5959	0.058*
C20B	−0.25025 (12)	0.1653 (3)	0.4643 (3)	0.0511 (10)
H04B	−0.2460	0.1287	0.5297	0.061*
H05B	−0.2624	0.1250	0.4059	0.061*
H06B	−0.2734	0.2155	0.4744	0.061*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Si1A	0.0164 (3)	0.0219 (3)	0.0140 (3)	0.0020 (3)	0.0025 (2)	0.0010 (3)
Si2A	0.0172 (4)	0.0259 (4)	0.0304 (4)	−0.0036 (3)	0.0014 (3)	0.0051 (3)
O1A	0.0193 (9)	0.0257 (9)	0.0126 (8)	−0.0026 (7)	0.0019 (7)	−0.0005 (7)
O2A	0.0294 (10)	0.0191 (8)	0.0137 (8)	0.0032 (7)	0.0061 (7)	0.0028 (7)
O3A	0.0286 (11)	0.0221 (9)	0.0371 (12)	−0.0096 (8)	−0.0007 (9)	0.0007 (8)
O4A	0.0192 (9)	0.0232 (9)	0.0189 (9)	−0.0004 (7)	0.0057 (7)	−0.0055 (7)
O5A	0.0155 (9)	0.0303 (10)	0.0328 (11)	−0.0002 (8)	0.0036 (8)	0.0093 (8)
C1A	0.0159 (12)	0.0200 (11)	0.0147 (12)	0.0004 (9)	0.0023 (9)	0.0011 (9)
C2A	0.0166 (12)	0.0154 (10)	0.0133 (11)	−0.0010 (9)	0.0043 (9)	−0.0028 (9)
C3A	0.0189 (12)	0.0171 (11)	0.0143 (12)	−0.0002 (9)	0.0013 (9)	0.0003 (9)
C4A	0.0177 (12)	0.0223 (12)	0.0206 (13)	0.0031 (10)	0.0052 (10)	0.0015 (10)
C5A	0.0178 (12)	0.0249 (12)	0.0134 (11)	−0.0006 (10)	0.0053 (9)	−0.0017 (9)
C6A	0.0166 (12)	0.0247 (12)	0.0215 (13)	−0.0034 (10)	0.0032 (10)	0.0060 (10)
C7A	0.0212 (13)	0.0201 (12)	0.0229 (13)	−0.0066 (10)	0.0017 (10)	0.0017 (10)
C8A	0.0226 (14)	0.0193 (12)	0.0251 (14)	−0.0028 (10)	0.0036 (11)	0.0010 (10)
C9A	0.0271 (15)	0.0423 (16)	0.0200 (14)	0.0043 (12)	0.0056 (11)	0.0104 (12)
C10A	0.0233 (15)	0.0455 (17)	0.0283 (15)	−0.0060 (13)	0.0032 (12)	−0.0092 (13)
C11A	0.0295 (15)	0.0296 (14)	0.0260 (14)	0.0106 (12)	0.0061 (12)	0.0013 (11)
C12A	0.049 (2)	0.0359 (16)	0.0392 (18)	0.0178 (15)	0.0098 (15)	0.0138 (14)
C13A	0.056 (2)	0.0283 (15)	0.052 (2)	0.0053 (15)	0.0089 (17)	−0.0135 (15)
C14A	0.0365 (19)	0.051 (2)	0.047 (2)	0.0206 (16)	0.0159 (15)	0.0070 (16)
C15A	0.046 (2)	0.056 (2)	0.047 (2)	−0.0237 (18)	−0.0091 (17)	0.0002 (17)
C16A	0.0298 (16)	0.0324 (15)	0.0443 (19)	0.0013 (13)	0.0095 (14)	0.0140 (13)
C17A	0.0274 (16)	0.0319 (15)	0.063 (2)	−0.0012 (13)	0.0192 (15)	0.0022 (15)
C18A	0.036 (2)	0.0361 (19)	0.108 (4)	0.0087 (15)	0.008 (2)	0.013 (2)
C19A	0.066 (3)	0.0418 (19)	0.051 (2)	−0.0066 (18)	0.0246 (19)	−0.0104 (16)
C20A	0.038 (2)	0.050 (2)	0.108 (4)	0.0014 (17)	0.042 (2)	0.008 (2)
Si1B	0.0150 (3)	0.0296 (4)	0.0184 (4)	0.0034 (3)	0.0051 (3)	0.0043 (3)
Si2B	0.0147 (3)	0.0260 (4)	0.0212 (4)	−0.0020 (3)	0.0045 (3)	0.0010 (3)
O1B	0.0174 (9)	0.0316 (9)	0.0118 (8)	−0.0034 (7)	0.0024 (7)	−0.0009 (7)
O2B	0.0294 (10)	0.0216 (9)	0.0132 (9)	0.0027 (7)	0.0068 (7)	0.0022 (7)
O3B	0.0220 (10)	0.0224 (10)	0.0619 (15)	−0.0048 (8)	0.0085 (10)	0.0044 (10)
O4B	0.0169 (9)	0.0259 (9)	0.0188 (9)	0.0013 (7)	0.0053 (7)	−0.0037 (7)
O5B	0.0144 (9)	0.0299 (10)	0.0282 (10)	0.0010 (7)	0.0042 (7)	0.0088 (8)
C1B	0.0125 (11)	0.0270 (13)	0.0167 (12)	−0.0002 (10)	0.0024 (9)	0.0025 (10)
C2B	0.0158 (12)	0.0193 (11)	0.0143 (11)	−0.0014 (9)	0.0036 (9)	−0.0017 (9)
C3B	0.0187 (12)	0.0181 (11)	0.0118 (11)	0.0004 (9)	0.0034 (9)	0.0004 (9)
C4B	0.0195 (13)	0.0214 (12)	0.0195 (13)	0.0018 (10)	0.0068 (10)	0.0000 (10)
C5B	0.0171 (12)	0.0252 (12)	0.0159 (12)	0.0001 (10)	0.0063 (9)	−0.0009 (10)
C6B	0.0122 (12)	0.0274 (13)	0.0203 (13)	−0.0007 (10)	0.0041 (9)	0.0042 (10)
C7B	0.0168 (13)	0.0211 (12)	0.0283 (14)	−0.0036 (10)	0.0042 (10)	0.0019 (10)
C8B	0.0177 (13)	0.0222 (12)	0.0287 (14)	0.0010 (10)	0.0078 (10)	0.0042 (10)
C9B	0.0353 (18)	0.0355 (16)	0.056 (2)	−0.0050 (14)	0.0167 (16)	0.0088 (15)
C10B	0.0240 (17)	0.110 (3)	0.0315 (18)	0.0074 (19)	0.0000 (14)	0.011 (2)
C11B	0.0317 (16)	0.0335 (15)	0.0409 (18)	0.0118 (13)	0.0164 (13)	−0.0039 (13)
C12B	0.109 (4)	0.0295 (19)	0.138 (5)	0.002 (2)	0.076 (4)	−0.013 (2)
C13B	0.063 (3)	0.096 (3)	0.050 (2)	0.024 (2)	−0.008 (2)	−0.038 (2)
C14B	0.039 (2)	0.071 (3)	0.056 (2)	0.0195 (19)	0.0197 (18)	−0.009 (2)
C15B	0.0339 (17)	0.0456 (18)	0.0361 (17)	−0.0077 (14)	0.0016 (14)	−0.0100 (14)
C16B	0.0276 (16)	0.0386 (16)	0.0360 (17)	−0.0027 (13)	0.0079 (13)	0.0110 (13)
C17B	0.0229 (14)	0.0315 (14)	0.0353 (16)	0.0012 (12)	0.0113 (12)	0.0017 (12)
C18B	0.0319 (17)	0.0423 (18)	0.050 (2)	0.0095 (14)	0.0036 (15)	0.0087 (15)
C19B	0.069 (3)	0.0369 (17)	0.041 (2)	0.0019 (17)	0.0196 (18)	−0.0091 (15)
C20B	0.0276 (18)	0.049 (2)	0.080 (3)	0.0054 (15)	0.0286 (18)	0.0035 (19)

Geometric parameters (Å, º)

Si1A—O4A	1.6570 (18)	Si1B—O4B	1.6570 (18)
Si1A—C9A	1.851 (3)	Si1B—C9B	1.857 (3)
Si1A—C10A	1.862 (3)	Si1B—C10B	1.862 (3)
Si1A—C11A	1.888 (3)	Si1B—C11B	1.880 (3)
Si2A—O5A	1.6574 (19)	Si2B—O5B	1.6564 (19)
Si2A—C15A	1.860 (3)	Si2B—C15B	1.858 (3)
Si2A—C16A	1.865 (3)	Si2B—C16B	1.861 (3)
Si2A—C17A	1.879 (3)	Si2B—C17B	1.887 (3)
O1A—C5A	1.434 (3)	O1B—C5B	1.445 (3)
O1A—C1A	1.441 (3)	O1B—C1B	1.445 (3)
O2A—C3A	1.436 (3)	O2B—C3B	1.434 (3)
O2A—H2OA	0.8400	O2B—H2OB	0.8400
O3A—C7A	1.432 (3)	O3B—C7B	1.429 (3)
O3A—H3OA	0.8400	O3B—H3OB	0.8400
O4A—C2A	1.420 (3)	O4B—C2B	1.420 (3)
O5A—C6A	1.408 (3)	O5B—C6B	1.412 (3)
C1A—C2A	1.531 (3)	C1B—C8B	1.529 (3)
C1A—C8A	1.534 (3)	C1B—C2B	1.530 (3)
C1A—H1A	1.0000	C1B—H1B	1.0000
C2A—C3A	1.519 (3)	C2B—C3B	1.520 (3)
C2A—H2A	1.0000	C2B—H2B	1.0000
C3A—C4A	1.530 (3)	C3B—C4B	1.530 (3)
C3A—H3A	1.0000	C3B—H3B	1.0000
C4A—C5A	1.532 (3)	C4B—C5B	1.517 (3)
C4A—H4A1	0.9900	C4B—H4B1	0.9900
C4A—H4A2	0.9900	C4B—H4B2	0.9900
C5A—C6A	1.536 (3)	C5B—C6B	1.532 (3)
C5A—H5A	1.0000	C5B—H5B	1.0000
C6A—C7A	1.519 (4)	C6B—C7B	1.522 (4)
C6A—H6A	1.0000	C6B—H6B	1.0000
C7A—C8A	1.524 (4)	C7B—C8B	1.527 (4)
C7A—H7A	1.0000	C7B—H7B	1.0000
C8A—H8A1	0.9900	C8B—H8B1	0.9900
C8A—H8A2	0.9900	C8B—H8B2	0.9900
C9A—H9A1	0.9800	C9B—H9B1	0.9800
C9A—H9A2	0.9800	C9B—H9B2	0.9800
C9A—H9A3	0.9800	C9B—H9B3	0.9800
C10A—H0A1	0.9800	C10B—H01B	0.9800
C10A—H0A2	0.9800	C10B—H02B	0.9800
C10A—H0A3	0.9800	C10B—H03B	0.9800
C11A—C13A	1.531 (4)	C11B—C12B	1.521 (5)
C11A—C14A	1.537 (4)	C11B—C14B	1.530 (4)
C11A—C12A	1.544 (4)	C11B—C13B	1.531 (5)
C12A—H21A	0.9800	C12B—H21B	0.9800
C12A—H22A	0.9800	C12B—H22B	0.9800
C12A—H23A	0.9800	C12B—H23B	0.9800
C13A—H31A	0.9800	C13B—H31B	0.9800
C13A—H32A	0.9800	C13B—H32B	0.9800
C13A—H33A	0.9800	C13B—H33B	0.9800
C14A—H41A	0.9800	C14B—H41B	0.9800
C14A—H42A	0.9800	C14B—H42B	0.9800
C14A—H43A	0.9800	C14B—H43B	0.9800
C15A—H51A	0.9800	C15B—H51B	0.9800
C15A—H52A	0.9800	C15B—H52B	0.9800
C15A—H53A	0.9800	C15B—H53B	0.9800
C16A—H61A	0.9800	C16B—H61B	0.9800
C16A—H62A	0.9800	C16B—H62B	0.9800
C16A—H63A	0.9800	C16B—H63B	0.9800
C17A—C20A	1.537 (4)	C17B—C19B	1.533 (5)
C17A—C19A	1.538 (5)	C17B—C18B	1.537 (4)
C17A—C18A	1.552 (5)	C17B—C20B	1.536 (4)
C18A—H81A	0.9800	C18B—H81B	0.9800
C18A—H82A	0.9800	C18B—H82B	0.9800
C18A—H83A	0.9800	C18B—H83B	0.9800
C19A—H91A	0.9800	C19B—H91B	0.9800
C19A—H92A	0.9800	C19B—H92B	0.9800
C19A—H93A	0.9800	C19B—H93B	0.9800
C20A—H04A	0.9800	C20B—H04B	0.9800
C20A—H05A	0.9800	C20B—H05B	0.9800
C20A—H06A	0.9800	C20B—H06B	0.9800
O4A—Si1A—C9A	107.00 (11)	O4B—Si1B—C9B	109.33 (13)
O4A—Si1A—C10A	110.15 (11)	O4B—Si1B—C10B	110.71 (13)
C9A—Si1A—C10A	110.83 (14)	C9B—Si1B—C10B	108.41 (19)
O4A—Si1A—C11A	108.42 (11)	O4B—Si1B—C11B	104.05 (12)
C9A—Si1A—C11A	109.25 (13)	C9B—Si1B—C11B	112.78 (15)
C10A—Si1A—C11A	111.06 (14)	C10B—Si1B—C11B	111.52 (18)
O5A—Si2A—C15A	107.50 (14)	O5B—Si2B—C15B	109.05 (13)
O5A—Si2A—C16A	111.82 (12)	O5B—Si2B—C16B	110.93 (12)
C15A—Si2A—C16A	110.83 (17)	C15B—Si2B—C16B	110.96 (15)
O5A—Si2A—C17A	105.58 (12)	O5B—Si2B—C17B	105.20 (11)
C15A—Si2A—C17A	111.49 (18)	C15B—Si2B—C17B	110.50 (15)
C16A—Si2A—C17A	109.51 (15)	C16B—Si2B—C17B	110.04 (14)
C5A—O1A—C1A	110.69 (18)	C5B—O1B—C1B	110.48 (18)
C3A—O2A—H2OA	109.5	C3B—O2B—H2OB	109.5
C7A—O3A—H3OA	109.5	C7B—O3B—H3OB	109.5
C2A—O4A—Si1A	130.26 (15)	C2B—O4B—Si1B	124.84 (15)
C6A—O5A—Si2A	126.29 (16)	C6B—O5B—Si2B	126.97 (16)
O1A—C1A—C2A	108.26 (18)	O1B—C1B—C8B	110.58 (19)
O1A—C1A—C8A	111.10 (19)	O1B—C1B—C2B	107.81 (19)
C2A—C1A—C8A	115.7 (2)	C8B—C1B—C2B	117.4 (2)
O1A—C1A—H1A	107.1	O1B—C1B—H1B	106.9
C2A—C1A—H1A	107.1	C8B—C1B—H1B	106.9
C8A—C1A—H1A	107.1	C2B—C1B—H1B	106.9
O4A—C2A—C3A	108.64 (19)	O4B—C2B—C3B	109.00 (19)
O4A—C2A—C1A	109.89 (18)	O4B—C2B—C1B	109.84 (19)
C3A—C2A—C1A	113.40 (19)	C3B—C2B—C1B	113.35 (19)
O4A—C2A—H2A	108.3	O4B—C2B—H2B	108.2
C3A—C2A—H2A	108.3	C3B—C2B—H2B	108.2
C1A—C2A—H2A	108.3	C1B—C2B—H2B	108.2
O2A—C3A—C2A	110.40 (19)	O2B—C3B—C2B	110.38 (19)
O2A—C3A—C4A	106.68 (18)	O2B—C3B—C4B	106.53 (18)
C2A—C3A—C4A	111.8 (2)	C2B—C3B—C4B	111.4 (2)
O2A—C3A—H3A	109.3	O2B—C3B—H3B	109.5
C2A—C3A—H3A	109.3	C2B—C3B—H3B	109.5
C4A—C3A—H3A	109.3	C4B—C3B—H3B	109.5
C3A—C4A—C5A	115.1 (2)	C5B—C4B—C3B	114.3 (2)
C3A—C4A—H4A1	108.5	C5B—C4B—H4B1	108.7
C5A—C4A—H4A1	108.5	C3B—C4B—H4B1	108.7
C3A—C4A—H4A2	108.5	C5B—C4B—H4B2	108.7
C5A—C4A—H4A2	108.5	C3B—C4B—H4B2	108.7
H4A1—C4A—H4A2	107.5	H4B1—C4B—H4B2	107.6
O1A—C5A—C4A	110.23 (19)	O1B—C5B—C4B	109.94 (19)
O1A—C5A—C6A	107.8 (2)	O1B—C5B—C6B	108.6 (2)
C4A—C5A—C6A	118.2 (2)	C4B—C5B—C6B	117.8 (2)
O1A—C5A—H5A	106.6	O1B—C5B—H5B	106.6
C4A—C5A—H5A	106.6	C4B—C5B—H5B	106.6
C6A—C5A—H5A	106.6	C6B—C5B—H5B	106.6
O5A—C6A—C7A	111.9 (2)	O5B—C6B—C7B	112.3 (2)
O5A—C6A—C5A	109.0 (2)	O5B—C6B—C5B	108.1 (2)
C7A—C6A—C5A	111.6 (2)	C7B—C6B—C5B	112.9 (2)
O5A—C6A—H6A	108.1	O5B—C6B—H6B	107.8
C7A—C6A—H6A	108.1	C7B—C6B—H6B	107.8
C5A—C6A—H6A	108.1	C5B—C6B—H6B	107.8
O3A—C7A—C6A	111.8 (2)	O3B—C7B—C6B	108.2 (2)
O3A—C7A—C8A	111.0 (2)	O3B—C7B—C8B	111.6 (2)
C6A—C7A—C8A	109.2 (2)	C6B—C7B—C8B	109.6 (2)
O3A—C7A—H7A	108.2	O3B—C7B—H7B	109.1
C6A—C7A—H7A	108.2	C6B—C7B—H7B	109.1
C8A—C7A—H7A	108.2	C8B—C7B—H7B	109.1
C7A—C8A—C1A	114.7 (2)	C7B—C8B—C1B	114.2 (2)
C7A—C8A—H8A1	108.6	C7B—C8B—H8B1	108.7
C1A—C8A—H8A1	108.6	C1B—C8B—H8B1	108.7
C7A—C8A—H8A2	108.6	C7B—C8B—H8B2	108.7
C1A—C8A—H8A2	108.6	C1B—C8B—H8B2	108.7
H8A1—C8A—H8A2	107.6	H8B1—C8B—H8B2	107.6
Si1A—C9A—H9A1	109.5	Si1B—C9B—H9B1	109.5
Si1A—C9A—H9A2	109.5	Si1B—C9B—H9B2	109.5
H9A1—C9A—H9A2	109.5	H9B1—C9B—H9B2	109.5
Si1A—C9A—H9A3	109.5	Si1B—C9B—H9B3	109.5
H9A1—C9A—H9A3	109.5	H9B1—C9B—H9B3	109.5
H9A2—C9A—H9A3	109.5	H9B2—C9B—H9B3	109.5
Si1A—C10A—H0A1	109.5	Si1B—C10B—H01B	109.5
Si1A—C10A—H0A2	109.5	Si1B—C10B—H02B	109.5
H0A1—C10A—H0A2	109.5	H01B—C10B—H02B	109.5
Si1A—C10A—H0A3	109.5	Si1B—C10B—H03B	109.5
H0A1—C10A—H0A3	109.5	H01B—C10B—H03B	109.5
H0A2—C10A—H0A3	109.5	H02B—C10B—H03B	109.5
C13A—C11A—C14A	109.4 (3)	C12B—C11B—C14B	110.1 (3)
C13A—C11A—C12A	109.6 (3)	C12B—C11B—C13B	109.8 (4)
C14A—C11A—C12A	108.1 (3)	C14B—C11B—C13B	108.0 (3)
C13A—C11A—Si1A	109.3 (2)	C12B—C11B—Si1B	108.8 (2)
C14A—C11A—Si1A	109.6 (2)	C14B—C11B—Si1B	110.4 (2)
C12A—C11A—Si1A	110.84 (19)	C13B—C11B—Si1B	109.7 (2)
C11A—C12A—H21A	109.5	C11B—C12B—H21B	109.5
C11A—C12A—H22A	109.5	C11B—C12B—H22B	109.5
H21A—C12A—H22A	109.5	H21B—C12B—H22B	109.5
C11A—C12A—H23A	109.5	C11B—C12B—H23B	109.5
H21A—C12A—H23A	109.5	H21B—C12B—H23B	109.5
H22A—C12A—H23A	109.5	H22B—C12B—H23B	109.5
C11A—C13A—H31A	109.5	C11B—C13B—H31B	109.5
C11A—C13A—H32A	109.5	C11B—C13B—H32B	109.5
H31A—C13A—H32A	109.5	H31B—C13B—H32B	109.5
C11A—C13A—H33A	109.5	C11B—C13B—H33B	109.5
H31A—C13A—H33A	109.5	H31B—C13B—H33B	109.5
H32A—C13A—H33A	109.5	H32B—C13B—H33B	109.5
C11A—C14A—H41A	109.5	C11B—C14B—H41B	109.5
C11A—C14A—H42A	109.5	C11B—C14B—H42B	109.5
H41A—C14A—H42A	109.5	H41B—C14B—H42B	109.5
C11A—C14A—H43A	109.5	C11B—C14B—H43B	109.5
H41A—C14A—H43A	109.5	H41B—C14B—H43B	109.5
H42A—C14A—H43A	109.5	H42B—C14B—H43B	109.5
Si2A—C15A—H51A	109.5	Si2B—C15B—H51B	109.5
Si2A—C15A—H52A	109.5	Si2B—C15B—H52B	109.5
H51A—C15A—H52A	109.5	H51B—C15B—H52B	109.5
Si2A—C15A—H53A	109.5	Si2B—C15B—H53B	109.5
H51A—C15A—H53A	109.5	H51B—C15B—H53B	109.5
H52A—C15A—H53A	109.5	H52B—C15B—H53B	109.5
Si2A—C16A—H61A	109.5	Si2B—C16B—H61B	109.5
Si2A—C16A—H62A	109.5	Si2B—C16B—H62B	109.5
H61A—C16A—H62A	109.5	H61B—C16B—H62B	109.5
Si2A—C16A—H63A	109.5	Si2B—C16B—H63B	109.5
H61A—C16A—H63A	109.5	H61B—C16B—H63B	109.5
H62A—C16A—H63A	109.5	H62B—C16B—H63B	109.5
C20A—C17A—C19A	108.3 (3)	C19B—C17B—C18B	108.9 (3)
C20A—C17A—C18A	109.4 (3)	C19B—C17B—C20B	109.3 (3)
C19A—C17A—C18A	109.4 (3)	C18B—C17B—C20B	108.8 (3)
C20A—C17A—Si2A	111.0 (2)	C19B—C17B—Si2B	109.7 (2)
C19A—C17A—Si2A	109.5 (2)	C18B—C17B—Si2B	110.2 (2)
C18A—C17A—Si2A	109.2 (3)	C20B—C17B—Si2B	109.9 (2)
C17A—C18A—H81A	109.5	C17B—C18B—H81B	109.5
C17A—C18A—H82A	109.5	C17B—C18B—H82B	109.5
H81A—C18A—H82A	109.5	H81B—C18B—H82B	109.5
C17A—C18A—H83A	109.5	C17B—C18B—H83B	109.5
H81A—C18A—H83A	109.5	H81B—C18B—H83B	109.5
H82A—C18A—H83A	109.5	H82B—C18B—H83B	109.5
C17A—C19A—H91A	109.5	C17B—C19B—H91B	109.5
C17A—C19A—H92A	109.5	C17B—C19B—H92B	109.5
H91A—C19A—H92A	109.5	H91B—C19B—H92B	109.5
C17A—C19A—H93A	109.5	C17B—C19B—H93B	109.5
H91A—C19A—H93A	109.5	H91B—C19B—H93B	109.5
H92A—C19A—H93A	109.5	H92B—C19B—H93B	109.5
C17A—C20A—H04A	109.5	C17B—C20B—H04B	109.5
C17A—C20A—H05A	109.5	C17B—C20B—H05B	109.5
H04A—C20A—H05A	109.5	H04B—C20B—H05B	109.5
C17A—C20A—H06A	109.5	C17B—C20B—H06B	109.5
H04A—C20A—H06A	109.5	H04B—C20B—H06B	109.5
H05A—C20A—H06A	109.5	H05B—C20B—H06B	109.5
C9A—Si1A—O4A—C2A	−121.7 (2)	O4B—C2B—C3B—C4B	166.24 (19)
C10A—Si1A—O4A—C2A	−1.2 (2)	C1B—C2B—C3B—C4B	43.6 (3)
C11A—Si1A—O4A—C2A	120.6 (2)	O2B—C3B—C4B—C5B	−160.9 (2)
C15A—Si2A—O5A—C6A	−119.1 (2)	C2B—C3B—C4B—C5B	−40.5 (3)
C16A—Si2A—O5A—C6A	2.7 (3)	C1B—O1B—C5B—C4B	−64.8 (2)
C17A—Si2A—O5A—C6A	121.8 (2)	C1B—O1B—C5B—C6B	65.3 (2)
C5A—O1A—C1A—C2A	67.9 (2)	C3B—C4B—C5B—O1B	50.6 (3)
C5A—O1A—C1A—C8A	−60.2 (2)	C3B—C4B—C5B—C6B	−74.5 (3)
Si1A—O4A—C2A—C3A	137.65 (18)	Si2B—O5B—C6B—C7B	88.5 (2)
Si1A—O4A—C2A—C1A	−97.8 (2)	Si2B—O5B—C6B—C5B	−146.30 (18)
O1A—C1A—C2A—O4A	−178.33 (18)	O1B—C5B—C6B—O5B	176.30 (18)
C8A—C1A—C2A—O4A	−52.9 (3)	C4B—C5B—C6B—O5B	−58.0 (3)
O1A—C1A—C2A—C3A	−56.5 (2)	O1B—C5B—C6B—C7B	−58.9 (3)
C8A—C1A—C2A—C3A	68.9 (3)	C4B—C5B—C6B—C7B	66.8 (3)
O4A—C2A—C3A—O2A	−77.1 (2)	O5B—C6B—C7B—O3B	−67.6 (3)
C1A—C2A—C3A—O2A	160.38 (18)	C5B—C6B—C7B—O3B	169.9 (2)
O4A—C2A—C3A—C4A	164.26 (19)	O5B—C6B—C7B—C8B	170.5 (2)
C1A—C2A—C3A—C4A	41.8 (3)	C5B—C6B—C7B—C8B	48.0 (3)
O2A—C3A—C4A—C5A	−158.3 (2)	O3B—C7B—C8B—C1B	−164.3 (2)
C2A—C3A—C4A—C5A	−37.6 (3)	C6B—C7B—C8B—C1B	−44.5 (3)
C1A—O1A—C5A—C4A	−63.7 (2)	O1B—C1B—C8B—C7B	51.8 (3)
C1A—O1A—C5A—C6A	66.7 (2)	C2B—C1B—C8B—C7B	−72.4 (3)
C3A—C4A—C5A—O1A	48.0 (3)	O4B—Si1B—C11B—C12B	−52.6 (3)
C3A—C4A—C5A—C6A	−76.7 (3)	C9B—Si1B—C11B—C12B	−171.0 (3)
Si2A—O5A—C6A—C7A	95.9 (2)	C10B—Si1B—C11B—C12B	66.8 (3)
Si2A—O5A—C6A—C5A	−140.09 (18)	O4B—Si1B—C11B—C14B	−173.6 (2)
O1A—C5A—C6A—O5A	173.38 (18)	C9B—Si1B—C11B—C14B	68.1 (3)
C4A—C5A—C6A—O5A	−60.8 (3)	C10B—Si1B—C11B—C14B	−54.2 (3)
O1A—C5A—C6A—C7A	−62.5 (3)	O4B—Si1B—C11B—C13B	67.5 (3)
C4A—C5A—C6A—C7A	63.3 (3)	C9B—Si1B—C11B—C13B	−50.9 (3)
O5A—C6A—C7A—O3A	−63.7 (3)	C10B—Si1B—C11B—C13B	−173.1 (3)
C5A—C6A—C7A—O3A	173.8 (2)	O5B—Si2B—C17B—C19B	−66.8 (2)
O5A—C6A—C7A—C8A	173.02 (19)	C15B—Si2B—C17B—C19B	175.7 (2)
C5A—C6A—C7A—C8A	50.5 (3)	C16B—Si2B—C17B—C19B	52.8 (2)
O3A—C7A—C8A—C1A	−167.8 (2)	O5B—Si2B—C17B—C18B	53.1 (2)
C6A—C7A—C8A—C1A	−44.1 (3)	C15B—Si2B—C17B—C18B	−64.5 (3)
O1A—C1A—C8A—C7A	48.9 (3)	C16B—Si2B—C17B—C18B	172.6 (2)
C2A—C1A—C8A—C7A	−75.0 (3)	O5B—Si2B—C17B—C20B	173.0 (2)
O4A—Si1A—C11A—C13A	54.9 (2)	C15B—Si2B—C17B—C20B	55.5 (3)
C9A—Si1A—C11A—C13A	−61.4 (2)	C16B—Si2B—C17B—C20B	−67.4 (3)
C10A—Si1A—C11A—C13A	176.1 (2)	C1A—C2A—O2A—H2OA	−146.1
O4A—Si1A—C11A—C14A	174.8 (2)	C6A—C7A—O3A—H3OA	−71.1
C9A—Si1A—C11A—C14A	58.5 (2)	C1A—C2A—O4A—Si1A	−97.8 (2)
C10A—Si1A—C11A—C14A	−64.1 (2)	C2A—O4A—Si1A—C9A	−121.7 (2)
O4A—Si1A—C11A—C12A	−66.0 (2)	C2A—O4A—Si1A—C10A	−1.2 (2)
C9A—Si1A—C11A—C12A	177.7 (2)	C2A—O4A—Si1A—C11A	120.6 (2)
C10A—Si1A—C11A—C12A	55.1 (3)	O4A—Si1A—C11A—C12A	−66.0 (2)
O5A—Si2A—C17A—C20A	177.5 (3)	O4A—Si1A—C11A—C13A	54.9 (2)
C15A—Si2A—C17A—C20A	61.1 (3)	O4A—Si1A—C11A—C14A	174.8 (2)
C16A—Si2A—C17A—C20A	−61.9 (3)	C5A—C6A—O5A—Si2A	−140.1 (2)
O5A—Si2A—C17A—C19A	−62.9 (2)	C6A—O5A—Si2A—C15A	−119.1 (2)
C15A—Si2A—C17A—C19A	−179.4 (2)	C6A—O5A—Si2A—C16A	2.7 (3)
C16A—Si2A—C17A—C19A	57.6 (3)	C6A—O5A—Si2A—C17A	121.8 (2)
O5A—Si2A—C17A—C18A	56.9 (3)	O5A—Si2A—C17A—C18A	56.9 (3)
C15A—Si2A—C17A—C18A	−59.6 (3)	O5A—Si2A—C17A—C19A	−62.9 (2)
C16A—Si2A—C17A—C18A	177.4 (2)	O5A—Si2A—C17A—C20A	177.5 (3)
C9B—Si1B—O4B—C2B	−67.5 (2)	C1B—C2B—O2B—H2OB	−141.0
C10B—Si1B—O4B—C2B	51.9 (3)	C6B—C7B—O3B—H3OB	−136.6
C11B—Si1B—O4B—C2B	171.81 (19)	C1B—C2B—O4B—Si1B	−99.2 (2)
C15B—Si2B—O5B—C6B	−106.0 (2)	C2B—O4B—Si1B—C9B	−67.5 (2)
C16B—Si2B—O5B—C6B	16.5 (2)	C2B—O4B—Si1B—C10B	51.9 (3)
C17B—Si2B—O5B—C6B	135.4 (2)	C2B—O4B—Si1B—C11B	171.8 (2)
C5B—O1B—C1B—C8B	−62.1 (2)	O4B—Si1B—C11B—C12B	−52.6 (3)
C5B—O1B—C1B—C2B	67.4 (2)	O4B—Si1B—C11B—C13B	67.5 (3)
Si1B—O4B—C2B—C3B	136.05 (17)	O4B—Si1B—C11B—C14B	−173.6 (2)
Si1B—O4B—C2B—C1B	−99.2 (2)	C5B—C6B—O5B—Si2B	−146.3 (2)
O1B—C1B—C2B—O4B	−178.86 (18)	C6B—O5B—Si2B—C15B	−106.0 (2)
C8B—C1B—C2B—O4B	−53.3 (3)	C6B—O5B—Si2B—C16B	16.5 (2)
O1B—C1B—C2B—C3B	−56.7 (3)	C6B—O5B—Si2B—C17B	135.4 (2)
C8B—C1B—C2B—C3B	68.9 (3)	O5B—Si2B—C17B—C18B	53.1 (2)
O4B—C2B—C3B—O2B	−75.6 (2)	O5B—Si2B—C17B—C19B	−66.8 (2)
C1B—C2B—C3B—O2B	161.75 (19)	O5B—Si2B—C17B—C20B	173.0 (2)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O2A—H2OA···O1A^i	0.84	2.05	2.841 (2)	157
O3A—H3OA···O2A^ii	0.84	2.13	2.892 (3)	151
O2B—H2OB···O1B^i	0.84	1.92	2.740 (2)	165
O3B—H3OB···O2B^iii	0.84	2.00	2.823 (3)	167

Symmetry codes: (i) x, −y+1/2, z−1/2; (ii) −x+1, y−1/2, −z+1/2; (iii) −x, y−1/2, −z+1/2.

(II) 4,8-Bis(tert-butyldimethylsilyloxy)-2,6-dioxatricyclo[3.3.1^3,7]decane- 1,3-diol

Crystal data

C20H40O6Si2	F(000) = 1888
Mr = 432.70	Dx = 1.200 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71069 Å
Hall symbol: -P 2yn	Cell parameters from 37761 reflections
a = 15.0964 (17) Å	θ = 5.1–27.5°
b = 13.6368 (15) Å	µ = 0.18 mm^−1
c = 24.291 (2) Å	T = 150 K
β = 106.676 (9)°	Block, colourless
V = 4790.3 (9) Å^3	0.60 × 0.60 × 0.50 mm
Z = 8

Data collection

Nonius KappaCCD diffractometer	10345 independent reflections
Radiation source: fine-focus sealed tube	8213 reflections with I > 2σ(I)
Horizontally mounted graphite crystal monochromator	Rint = 0.040
Detector resolution: 9 pixels mm^-1	θmax = 27.0°, θmin = 5.1°
ϕ and ω scans	h = −19→17
Absorption correction: multi-scan (PLATON; Spek, 2003)	k = −16→17
Tmin = 0.900, Tmax = 0.916	l = −31→31
36437 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.044	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.112	H-atom parameters constrained
S = 1.05	w = 1/[σ^2(Fo^2) + (0.0567P)^2 + 1.8497P] where P = (Fo^2 + 2Fc^2)/3
10345 reflections	(Δ/σ)max = 0.001
509 parameters	Δρmax = 0.40 e Å^−3
0 restraints	Δρmin = −0.25 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Si1A	0.41960 (3)	0.04184 (4)	0.62090 (2)	0.01588 (11)
Si2A	−0.13487 (3)	0.24051 (4)	0.60972 (2)	0.01651 (11)
O1A	0.09501 (8)	0.11486 (10)	0.52964 (5)	0.0222 (3)
O2A	0.22341 (8)	0.01806 (9)	0.69660 (5)	0.0191 (3)
H2OA	0.2740	0.0440	0.7143	0.023*
O3A	0.13396 (9)	0.33102 (9)	0.65443 (6)	0.0243 (3)
H3OA	0.0994	0.3278	0.6760	0.029*
O4A	0.32825 (8)	0.10097 (9)	0.62954 (5)	0.0196 (3)
O5A	−0.02308 (8)	0.21055 (9)	0.63124 (5)	0.0194 (3)
O6A	0.17437 (8)	0.17144 (8)	0.66975 (5)	0.0157 (3)
C1A	0.18808 (12)	0.14827 (14)	0.55736 (8)	0.0205 (4)
H1A	0.2232	0.1512	0.5282	0.025*
C2A	0.23504 (11)	0.07482 (13)	0.60411 (7)	0.0172 (4)
H2A	0.2324	0.0080	0.5867	0.021*
C3A	0.18030 (12)	0.07453 (12)	0.64816 (8)	0.0165 (4)
C4A	0.08398 (12)	0.03681 (13)	0.61853 (8)	0.0188 (4)
H4A1	0.0467	0.0341	0.6460	0.023*
H4A2	0.0872	−0.0300	0.6033	0.023*
C5A	0.04043 (12)	0.10747 (14)	0.56967 (8)	0.0193 (4)
H5A	−0.0230	0.0839	0.5488	0.023*
C6A	0.03375 (12)	0.21011 (13)	0.59365 (8)	0.0180 (4)
H6A	0.0076	0.2564	0.5611	0.022*
C7A	0.13187 (12)	0.24215 (12)	0.62603 (8)	0.0176 (4)
C8A	0.18757 (13)	0.24957 (14)	0.58334 (8)	0.0214 (4)
H8A1	0.2515	0.2710	0.6029	0.026*
H8A2	0.1591	0.2978	0.5529	0.026*
C9A	0.48739 (14)	−0.00420 (16)	0.69236 (8)	0.0288 (4)
H9A1	0.5015	0.0503	0.7198	0.035*
H9A2	0.5452	−0.0334	0.6894	0.035*
H9A3	0.4513	−0.0539	0.7057	0.035*
C10A	0.38318 (14)	−0.06307 (14)	0.57082 (9)	0.0263 (4)
H0A1	0.3473	−0.0388	0.5330	0.032*
H0A2	0.3449	−0.1079	0.5858	0.032*
H0A3	0.4380	−0.0979	0.5672	0.032*
C11A	0.48746 (12)	0.13426 (14)	0.59162 (8)	0.0218 (4)
C14A	0.51674 (16)	0.21995 (16)	0.63349 (10)	0.0364 (5)
H41A	0.4618	0.2502	0.6400	0.044*
H42A	0.5499	0.2687	0.6172	0.044*
H43A	0.5574	0.1959	0.6701	0.044*
C13A	0.57426 (14)	0.08543 (17)	0.58313 (11)	0.0364 (5)
H31A	0.6140	0.0627	0.6203	0.044*
H32A	0.6081	0.1330	0.5666	0.044*
H33A	0.5561	0.0294	0.5570	0.044*
C12A	0.42851 (15)	0.17405 (18)	0.53377 (9)	0.0375 (5)
H21A	0.3745	0.2083	0.5391	0.045*
H22A	0.4079	0.1195	0.5068	0.045*
H23A	0.4654	0.2198	0.5183	0.045*
C15A	−0.18278 (14)	0.18649 (15)	0.66518 (9)	0.0273 (4)
H51A	−0.2501	0.1944	0.6534	0.033*
H52A	−0.1562	0.2200	0.7019	0.033*
H53A	−0.1673	0.1166	0.6695	0.033*
C16A	−0.19097 (13)	0.18904 (14)	0.53711 (8)	0.0227 (4)
H61A	−0.1820	0.1178	0.5379	0.027*
H62A	−0.1632	0.2184	0.5092	0.027*
H63A	−0.2573	0.2038	0.5261	0.027*
C17A	−0.15065 (12)	0.37782 (13)	0.60809 (8)	0.0210 (4)
C19A	−0.09288 (15)	0.42424 (15)	0.66454 (10)	0.0343 (5)
H91A	−0.1091	0.4937	0.6652	0.041*
H92A	−0.0270	0.4182	0.6674	0.041*
H93A	−0.1056	0.3904	0.6971	0.041*
C18A	−0.12344 (15)	0.42309 (14)	0.55749 (10)	0.0323 (5)
H81A	−0.0585	0.4080	0.5612	0.039*
H82A	−0.1317	0.4944	0.5576	0.039*
H83A	−0.1627	0.3959	0.5214	0.039*
C20A	−0.25328 (13)	0.40016 (16)	0.60104 (10)	0.0313 (5)
H04A	−0.2704	0.3745	0.6343	0.038*
H05A	−0.2915	0.3689	0.5659	0.038*
H06A	−0.2632	0.4712	0.5985	0.038*
Si1B	0.65266 (3)	0.30319 (4)	0.87712 (2)	0.01712 (11)
Si2B	0.09529 (4)	0.09522 (4)	0.84202 (2)	0.02305 (13)
O1B	0.37631 (8)	0.09564 (9)	0.78933 (5)	0.0193 (3)
O2B	0.49282 (9)	0.20760 (10)	0.95372 (6)	0.0266 (3)
H2OB	0.5111	0.2661	0.9574	0.032*
O3B	0.23018 (9)	0.32886 (9)	0.83051 (6)	0.0254 (3)
H3OB	0.2475	0.3826	0.8202	0.031*
O4B	0.53851 (8)	0.28982 (9)	0.85735 (6)	0.0212 (3)
O5B	0.20150 (8)	0.13867 (9)	0.86444 (5)	0.0194 (3)
O6B	0.36471 (8)	0.26526 (9)	0.88786 (5)	0.0195 (3)
C1B	0.41857 (12)	0.19141 (13)	0.79366 (8)	0.0184 (4)
H1B	0.4508	0.1982	0.7632	0.022*
C2B	0.48968 (12)	0.20007 (13)	0.85272 (8)	0.0188 (4)
H2B	0.5344	0.1444	0.8580	0.023*
C3B	0.43644 (12)	0.19251 (13)	0.89793 (8)	0.0181 (4)
C4B	0.39441 (12)	0.09087 (13)	0.89272 (8)	0.0205 (4)
H4B1	0.3606	0.0818	0.9217	0.025*
H4B2	0.4436	0.0405	0.8992	0.025*
C5B	0.32849 (12)	0.08091 (13)	0.83250 (8)	0.0177 (4)
H5B	0.3005	0.0138	0.8279	0.021*
C6B	0.25183 (12)	0.15708 (12)	0.82394 (7)	0.0161 (4)
H6B	0.2092	0.1516	0.7841	0.019*
C7B	0.29680 (12)	0.25788 (13)	0.83217 (8)	0.0181 (4)
C8B	0.34638 (12)	0.27142 (13)	0.78598 (8)	0.0192 (4)
H8B1	0.3015	0.2669	0.7473	0.023*
H8B2	0.3763	0.3367	0.7899	0.023*
C9B	0.66876 (14)	0.42870 (14)	0.90772 (9)	0.0256 (4)
H9B1	0.7350	0.4431	0.9223	0.031*
H9B2	0.6404	0.4331	0.9392	0.031*
H9B3	0.6394	0.4762	0.8778	0.031*
C10B	0.70940 (14)	0.20805 (14)	0.93043 (8)	0.0251 (4)
H01B	0.6789	0.2051	0.9610	0.030*
H02B	0.7748	0.2248	0.9471	0.030*
H03B	0.7045	0.1441	0.9113	0.030*
C11B	0.70074 (13)	0.29389 (14)	0.81337 (8)	0.0221 (4)
C13B	0.80314 (15)	0.32337 (19)	0.83221 (11)	0.0414 (6)
H31B	0.8088	0.3918	0.8450	0.050*
H32B	0.8290	0.3161	0.7998	0.050*
H33B	0.8370	0.2810	0.8639	0.050*
C14B	0.69271 (15)	0.18841 (15)	0.79093 (9)	0.0297 (5)
H41B	0.7160	0.1848	0.7573	0.036*
H42B	0.6278	0.1680	0.7801	0.036*
H43B	0.7292	0.1449	0.8211	0.036*
C12B	0.64758 (17)	0.36152 (17)	0.76517 (10)	0.0386 (5)
H21B	0.6729	0.3558	0.7324	0.046*
H22B	0.6535	0.4294	0.7789	0.046*
H23B	0.5822	0.3428	0.7532	0.046*
C15B	0.01819 (17)	0.1903 (2)	0.79942 (12)	0.0587 (8)
H51B	−0.0464	0.1701	0.7927	0.070*
H52B	0.0314	0.1986	0.7625	0.070*
H53B	0.0287	0.2525	0.8205	0.070*
C16B	0.09327 (19)	−0.0162 (2)	0.79756 (12)	0.0574 (8)
H61B	0.0944	0.0032	0.7589	0.069*
H62B	0.0369	−0.0537	0.7950	0.069*
H63B	0.1475	−0.0568	0.8154	0.069*
C17B	0.06307 (13)	0.06365 (14)	0.90903 (8)	0.0237 (4)
C20B	−0.03586 (15)	0.02295 (18)	0.89295 (11)	0.0392 (6)
H04B	−0.0789	0.0727	0.8715	0.047*
H05B	−0.0522	0.0059	0.9280	0.047*
H06B	−0.0397	−0.0357	0.8691	0.047*
C18B	0.06839 (17)	0.15516 (16)	0.94604 (10)	0.0370 (5)
H81B	0.0235	0.2037	0.9250	0.044*
H82B	0.1308	0.1829	0.9551	0.044*
H83B	0.0543	0.1376	0.9817	0.044*
C19B	0.12942 (16)	−0.01414 (17)	0.94364 (10)	0.0370 (5)
H91B	0.1260	−0.0733	0.9202	0.044*
H92B	0.1119	−0.0303	0.9784	0.044*
H93B	0.1927	0.0115	0.9544	0.044*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Si1A	0.0138 (2)	0.0187 (2)	0.0159 (2)	0.00239 (19)	0.00546 (19)	−0.00093 (19)
Si2A	0.0132 (2)	0.0187 (2)	0.0177 (2)	0.00023 (19)	0.00467 (19)	−0.00210 (19)
O1A	0.0173 (6)	0.0344 (8)	0.0145 (6)	0.0035 (6)	0.0041 (5)	−0.0031 (6)
O2A	0.0181 (6)	0.0175 (6)	0.0203 (7)	0.0000 (5)	0.0032 (5)	0.0034 (5)
O3A	0.0251 (7)	0.0169 (6)	0.0315 (8)	0.0015 (5)	0.0091 (6)	−0.0032 (6)
O4A	0.0126 (6)	0.0230 (7)	0.0232 (7)	0.0014 (5)	0.0052 (5)	−0.0037 (5)
O5A	0.0153 (6)	0.0267 (7)	0.0172 (6)	0.0035 (5)	0.0063 (5)	−0.0007 (5)
O6A	0.0160 (6)	0.0150 (6)	0.0152 (6)	0.0016 (5)	0.0031 (5)	−0.0012 (5)
C1A	0.0148 (8)	0.0309 (10)	0.0170 (9)	0.0013 (8)	0.0065 (7)	0.0007 (8)
C2A	0.0126 (8)	0.0207 (9)	0.0180 (9)	0.0006 (7)	0.0039 (7)	−0.0037 (7)
C3A	0.0174 (8)	0.0146 (8)	0.0175 (9)	0.0027 (7)	0.0053 (7)	0.0001 (7)
C4A	0.0161 (8)	0.0183 (9)	0.0233 (10)	0.0002 (7)	0.0076 (7)	−0.0036 (7)
C5A	0.0142 (8)	0.0260 (10)	0.0183 (9)	0.0015 (7)	0.0055 (7)	−0.0037 (7)
C6A	0.0159 (8)	0.0232 (9)	0.0158 (9)	0.0052 (7)	0.0057 (7)	0.0020 (7)
C7A	0.0180 (9)	0.0137 (8)	0.0207 (9)	0.0026 (7)	0.0051 (7)	0.0016 (7)
C8A	0.0198 (9)	0.0236 (10)	0.0225 (10)	0.0015 (7)	0.0086 (8)	0.0065 (8)
C9A	0.0283 (10)	0.0341 (11)	0.0234 (10)	0.0101 (9)	0.0066 (8)	0.0048 (9)
C10A	0.0258 (10)	0.0247 (10)	0.0312 (11)	−0.0007 (8)	0.0126 (9)	−0.0085 (8)
C11A	0.0173 (9)	0.0268 (10)	0.0221 (10)	−0.0023 (8)	0.0069 (8)	0.0002 (8)
C14A	0.0383 (12)	0.0279 (11)	0.0427 (13)	−0.0086 (10)	0.0114 (11)	−0.0067 (10)
C13A	0.0234 (10)	0.0423 (13)	0.0500 (14)	−0.0045 (9)	0.0212 (10)	−0.0027 (11)
C12A	0.0325 (12)	0.0490 (14)	0.0304 (12)	−0.0107 (10)	0.0080 (10)	0.0138 (10)
C15A	0.0252 (10)	0.0331 (11)	0.0262 (10)	−0.0023 (9)	0.0115 (9)	−0.0003 (9)
C16A	0.0209 (9)	0.0217 (9)	0.0233 (10)	−0.0008 (8)	0.0028 (8)	−0.0027 (8)
C17A	0.0161 (9)	0.0198 (9)	0.0262 (10)	0.0017 (7)	0.0045 (8)	−0.0046 (8)
C19A	0.0331 (12)	0.0254 (11)	0.0396 (13)	0.0007 (9)	0.0030 (10)	−0.0142 (9)
C18A	0.0388 (12)	0.0185 (10)	0.0432 (13)	0.0045 (9)	0.0176 (10)	0.0026 (9)
C20A	0.0223 (10)	0.0300 (11)	0.0410 (13)	0.0082 (9)	0.0084 (9)	−0.0051 (9)
Si1B	0.0151 (2)	0.0179 (2)	0.0193 (3)	−0.00384 (19)	0.00633 (19)	−0.0024 (2)
Si2B	0.0174 (2)	0.0325 (3)	0.0209 (3)	−0.0101 (2)	0.0081 (2)	−0.0057 (2)
O1B	0.0207 (6)	0.0180 (6)	0.0222 (7)	−0.0025 (5)	0.0110 (5)	−0.0051 (5)
O2B	0.0264 (7)	0.0325 (8)	0.0191 (7)	−0.0092 (6)	0.0036 (6)	−0.0023 (6)
O3B	0.0219 (7)	0.0160 (6)	0.0421 (9)	0.0014 (5)	0.0150 (6)	0.0002 (6)
O4B	0.0160 (6)	0.0197 (6)	0.0290 (7)	−0.0040 (5)	0.0084 (6)	−0.0005 (5)
O5B	0.0165 (6)	0.0233 (7)	0.0213 (7)	−0.0063 (5)	0.0101 (5)	−0.0018 (5)
O6B	0.0187 (6)	0.0199 (6)	0.0218 (7)	−0.0021 (5)	0.0088 (5)	−0.0056 (5)
C1B	0.0201 (9)	0.0186 (9)	0.0202 (9)	−0.0038 (7)	0.0116 (7)	−0.0009 (7)
C2B	0.0152 (8)	0.0177 (9)	0.0246 (10)	−0.0010 (7)	0.0075 (7)	−0.0003 (7)
C3B	0.0178 (8)	0.0199 (9)	0.0168 (9)	−0.0028 (7)	0.0053 (7)	−0.0022 (7)
C4B	0.0199 (9)	0.0186 (9)	0.0240 (10)	−0.0004 (7)	0.0081 (8)	0.0031 (8)
C5B	0.0183 (9)	0.0166 (9)	0.0206 (9)	−0.0027 (7)	0.0096 (7)	−0.0020 (7)
C6B	0.0158 (8)	0.0184 (9)	0.0157 (9)	−0.0034 (7)	0.0072 (7)	−0.0020 (7)
C7B	0.0167 (8)	0.0157 (9)	0.0231 (9)	0.0004 (7)	0.0075 (7)	−0.0007 (7)
C8B	0.0183 (9)	0.0193 (9)	0.0210 (9)	−0.0028 (7)	0.0074 (7)	0.0019 (7)
C9B	0.0276 (10)	0.0224 (10)	0.0284 (11)	−0.0048 (8)	0.0107 (9)	−0.0043 (8)
C10B	0.0263 (10)	0.0249 (10)	0.0232 (10)	−0.0012 (8)	0.0056 (8)	−0.0010 (8)
C11B	0.0179 (9)	0.0276 (10)	0.0234 (10)	−0.0050 (8)	0.0099 (8)	−0.0028 (8)
C13B	0.0249 (11)	0.0567 (15)	0.0488 (14)	−0.0148 (11)	0.0205 (11)	−0.0145 (12)
C14B	0.0328 (11)	0.0333 (11)	0.0273 (11)	−0.0005 (9)	0.0155 (9)	−0.0050 (9)
C12B	0.0542 (15)	0.0367 (12)	0.0293 (12)	0.0036 (11)	0.0190 (11)	0.0062 (10)
C15B	0.0272 (12)	0.101 (2)	0.0455 (16)	0.0071 (14)	0.0063 (11)	0.0311 (16)
C16B	0.0592 (17)	0.0719 (19)	0.0572 (17)	−0.0438 (15)	0.0428 (15)	−0.0438 (15)
C17B	0.0211 (9)	0.0271 (10)	0.0265 (10)	−0.0077 (8)	0.0124 (8)	−0.0025 (8)
C20B	0.0296 (11)	0.0489 (14)	0.0450 (14)	−0.0151 (10)	0.0202 (11)	−0.0013 (11)
C18B	0.0469 (14)	0.0367 (12)	0.0338 (12)	−0.0042 (11)	0.0218 (11)	−0.0086 (10)
C19B	0.0415 (13)	0.0355 (12)	0.0371 (13)	−0.0004 (10)	0.0164 (11)	0.0068 (10)

Geometric parameters (Å, º)

Si1A—O4A	1.6620 (12)	Si1B—O4B	1.6609 (13)
Si1A—C9A	1.854 (2)	Si1B—C9B	1.8541 (19)
Si1A—C10A	1.8562 (19)	Si1B—C10B	1.859 (2)
Si1A—C11A	1.8873 (19)	Si1B—C11B	1.8935 (18)
Si2A—O5A	1.6680 (13)	Si2B—O5B	1.6485 (13)
Si2A—C15A	1.8548 (19)	Si2B—C15B	1.848 (3)
Si2A—C16A	1.8610 (19)	Si2B—C16B	1.859 (2)
Si2A—C17A	1.8865 (19)	Si2B—C17B	1.8778 (19)
O1A—C1A	1.446 (2)	O1B—C1B	1.444 (2)
O1A—C5A	1.447 (2)	O1B—C5B	1.4476 (19)
O2A—C3A	1.401 (2)	O2B—C3B	1.393 (2)
O2A—H2OA	0.8400	O2B—H2OB	0.8400
O3A—C7A	1.390 (2)	O3B—C7B	1.388 (2)
O3A—H3OA	0.8400	O3B—H3OB	0.8400
O4A—C2A	1.411 (2)	O4B—C2B	1.416 (2)
O5A—C6A	1.4209 (19)	O5B—C6B	1.4273 (19)
O6A—C3A	1.434 (2)	O6B—C3B	1.437 (2)
O6A—C7A	1.442 (2)	O6B—C7B	1.448 (2)
C1A—C8A	1.520 (3)	C1B—C8B	1.515 (2)
C1A—C2A	1.527 (3)	C1B—C2B	1.530 (3)
C1A—H1A	1.0000	C1B—H1B	1.0000
C2A—C3A	1.528 (2)	C2B—C3B	1.539 (2)
C2A—H2A	1.0000	C2B—H2B	1.0000
C3A—C4A	1.515 (2)	C3B—C4B	1.514 (2)
C4A—C5A	1.524 (3)	C4B—C5B	1.521 (3)
C4A—H4A1	0.9900	C4B—H4B1	0.9900
C4A—H4A2	0.9900	C4B—H4B2	0.9900
C5A—C6A	1.531 (2)	C5B—C6B	1.524 (2)
C5A—H5A	1.0000	C5B—H5B	1.0000
C6A—C7A	1.528 (2)	C6B—C7B	1.521 (2)
C6A—H6A	1.0000	C6B—H6B	1.0000
C7A—C8A	1.515 (2)	C7B—C8B	1.528 (2)
C8A—H8A1	0.9900	C8B—H8B1	0.9900
C8A—H8A2	0.9900	C8B—H8B2	0.9900
C9A—H9A1	0.9800	C9B—H9B1	0.9800
C9A—H9A2	0.9800	C9B—H9B2	0.9800
C9A—H9A3	0.9800	C9B—H9B3	0.9800
C10A—H0A1	0.9800	C10B—H01B	0.9800
C10A—H0A2	0.9800	C10B—H02B	0.9800
C10A—H0A3	0.9800	C10B—H03B	0.9800
C11A—C14A	1.529 (3)	C11B—C12B	1.525 (3)
C11A—C12A	1.531 (3)	C11B—C14B	1.531 (3)
C11A—C13A	1.536 (3)	C11B—C13B	1.535 (3)
C14A—H41A	0.9800	C13B—H31B	0.9800
C14A—H42A	0.9800	C13B—H32B	0.9800
C14A—H43A	0.9800	C13B—H33B	0.9800
C13A—H31A	0.9800	C14B—H41B	0.9800
C13A—H32A	0.9800	C14B—H42B	0.9800
C13A—H33A	0.9800	C14B—H43B	0.9800
C12A—H21A	0.9800	C12B—H21B	0.9800
C12A—H22A	0.9800	C12B—H22B	0.9800
C12A—H23A	0.9800	C12B—H23B	0.9800
C15A—H51A	0.9800	C15B—H51B	0.9800
C15A—H52A	0.9800	C15B—H52B	0.9800
C15A—H53A	0.9800	C15B—H53B	0.9800
C16A—H61A	0.9800	C16B—H61B	0.9800
C16A—H62A	0.9800	C16B—H62B	0.9800
C16A—H63A	0.9800	C16B—H63B	0.9800
C17A—C18A	1.533 (3)	C17B—C18B	1.527 (3)
C17A—C19A	1.535 (3)	C17B—C20B	1.535 (3)
C17A—C20A	1.540 (2)	C17B—C19B	1.534 (3)
C19A—H91A	0.9800	C20B—H04B	0.9800
C19A—H92A	0.9800	C20B—H05B	0.9800
C19A—H93A	0.9800	C20B—H06B	0.9800
C18A—H81A	0.9800	C18B—H81B	0.9800
C18A—H82A	0.9800	C18B—H82B	0.9800
C18A—H83A	0.9800	C18B—H83B	0.9800
C20A—H04A	0.9800	C19B—H91B	0.9800
C20A—H05A	0.9800	C19B—H92B	0.9800
C20A—H06A	0.9800	C19B—H93B	0.9800
O4A—Si1A—C9A	107.53 (8)	O4B—Si1B—C9B	102.89 (8)
O4A—Si1A—C10A	110.87 (8)	O4B—Si1B—C10B	110.92 (8)
C9A—Si1A—C10A	109.44 (10)	C9B—Si1B—C10B	112.56 (9)
O4A—Si1A—C11A	106.47 (8)	O4B—Si1B—C11B	111.45 (8)
C9A—Si1A—C11A	111.44 (9)	C9B—Si1B—C11B	110.66 (9)
C10A—Si1A—C11A	111.00 (9)	C10B—Si1B—C11B	108.34 (9)
O5A—Si2A—C15A	104.21 (8)	O5B—Si2B—C15B	109.24 (11)
O5A—Si2A—C16A	110.43 (7)	O5B—Si2B—C16B	109.75 (9)
C15A—Si2A—C16A	111.86 (9)	C15B—Si2B—C16B	110.21 (15)
O5A—Si2A—C17A	111.10 (7)	O5B—Si2B—C17B	105.39 (8)
C15A—Si2A—C17A	109.65 (9)	C15B—Si2B—C17B	111.59 (10)
C16A—Si2A—C17A	109.52 (9)	C16B—Si2B—C17B	110.55 (11)
C1A—O1A—C5A	111.93 (13)	C1B—O1B—C5B	111.99 (12)
C3A—O2A—H2OA	109.5	C3B—O2B—H2OB	109.5
C7A—O3A—H3OA	109.5	C7B—O3B—H3OB	109.5
C2A—O4A—Si1A	125.6 (1)	C2B—O4B—Si1B	126.2 (1)
C6A—O5A—Si2A	122.9 (1)	C6B—O5B—Si2B	119.7 (1)
C3A—O6A—C7A	114.10 (13)	C3B—O6B—C7B	114.09 (13)
O1A—C1A—C8A	111.08 (14)	O1B—C1B—C8B	110.80 (14)
O1A—C1A—C2A	108.73 (14)	O1B—C1B—C2B	108.33 (14)
C8A—C1A—C2A	110.12 (15)	C8B—C1B—C2B	110.25 (14)
O1A—C1A—H1A	109.0	O1B—C1B—H1B	109.1
C8A—C1A—H1A	109.0	C8B—C1B—H1B	109.1
C2A—C1A—H1A	109.0	C2B—C1B—H1B	109.1
O4A—C2A—C1A	110.59 (14)	O4B—C2B—C1B	110.50 (14)
O4A—C2A—C3A	111.46 (14)	O4B—C2B—C3B	111.57 (14)
C1A—C2A—C3A	107.06 (13)	C1B—C2B—C3B	107.12 (14)
O4A—C2A—H2A	109.2	O4B—C2B—H2B	109.2
C1A—C2A—H2A	109.2	C1B—C2B—H2B	109.2
C3A—C2A—H2A	109.2	C3B—C2B—H2B	109.2
O2A—C3A—O6A	105.20 (13)	O2B—C3B—O6B	106.49 (14)
O2A—C3A—C4A	111.32 (14)	O2B—C3B—C4B	109.92 (15)
O6A—C3A—C4A	109.54 (13)	O6B—C3B—C4B	109.91 (14)
O2A—C3A—C2A	112.04 (14)	O2B—C3B—C2B	112.69 (14)
O6A—C3A—C2A	110.90 (14)	O6B—C3B—C2B	110.77 (14)
C4A—C3A—C2A	107.8 (1)	C4B—C3B—C2B	107.1 (1)
C3A—C4A—C5A	107.21 (14)	C3B—C4B—C5B	107.75 (14)
C3A—C4A—H4A1	110.3	C3B—C4B—H4B1	110.2
C5A—C4A—H4A1	110.3	C5B—C4B—H4B1	110.2
C3A—C4A—H4A2	110.3	C3B—C4B—H4B2	110.2
C5A—C4A—H4A2	110.3	C5B—C4B—H4B2	110.2
H4A1—C4A—H4A2	108.5	H4B1—C4B—H4B2	108.5
O1A—C5A—C4A	111.46 (14)	O1B—C5B—C4B	111.07 (14)
O1A—C5A—C6A	107.72 (14)	O1B—C5B—C6B	108.88 (14)
C4A—C5A—C6A	110.04 (14)	C4B—C5B—C6B	109.39 (14)
O1A—C5A—H5A	109.2	O1B—C5B—H5B	109.2
C4A—C5A—H5A	109.2	C4B—C5B—H5B	109.2
C6A—C5A—H5A	109.2	C6B—C5B—H5B	109.2
O5A—C6A—C7A	110.05 (14)	O5B—C6B—C7B	111.98 (13)
O5A—C6A—C5A	111.49 (14)	O5B—C6B—C5B	108.64 (14)
C7A—C6A—C5A	107.30 (14)	C7B—C6B—C5B	107.77 (14)
O5A—C6A—H6A	109.3	O5B—C6B—H6B	109.5
C7A—C6A—H6A	109.3	C7B—C6B—H6B	109.5
C5A—C6A—H6A	109.3	C5B—C6B—H6B	109.5
O3A—C7A—O6A	106.00 (14)	O3B—C7B—O6B	106.96 (14)
O3A—C7A—C8A	110.09 (14)	O3B—C7B—C6B	109.52 (14)
O6A—C7A—C8A	109.38 (13)	O6B—C7B—C6B	110.82 (14)
O3A—C7A—C6A	112.66 (14)	O3B—C7B—C8B	113.45 (15)
O6A—C7A—C6A	110.41 (14)	O6B—C7B—C8B	108.24 (14)
C8A—C7A—C6A	108.3 (2)	C6B—C7B—C8B	107.9 (1)
C7A—C8A—C1A	107.07 (14)	C1B—C8B—C7B	108.00 (14)
C7A—C8A—H8A1	110.3	C1B—C8B—H8B1	110.1
C1A—C8A—H8A1	110.3	C7B—C8B—H8B1	110.1
C7A—C8A—H8A2	110.3	C1B—C8B—H8B2	110.1
C1A—C8A—H8A2	110.3	C7B—C8B—H8B2	110.1
H8A1—C8A—H8A2	108.6	H8B1—C8B—H8B2	108.4
Si1A—C9A—H9A1	109.5	Si1B—C9B—H9B1	109.5
Si1A—C9A—H9A2	109.5	Si1B—C9B—H9B2	109.5
H9A1—C9A—H9A2	109.5	H9B1—C9B—H9B2	109.5
Si1A—C9A—H9A3	109.5	Si1B—C9B—H9B3	109.5
H9A1—C9A—H9A3	109.5	H9B1—C9B—H9B3	109.5
H9A2—C9A—H9A3	109.5	H9B2—C9B—H9B3	109.5
Si1A—C10A—H0A1	109.5	Si1B—C10B—H01B	109.5
Si1A—C10A—H0A2	109.5	Si1B—C10B—H02B	109.5
H0A1—C10A—H0A2	109.5	H01B—C10B—H02B	109.5
Si1A—C10A—H0A3	109.5	Si1B—C10B—H03B	109.5
H0A1—C10A—H0A3	109.5	H01B—C10B—H03B	109.5
H0A2—C10A—H0A3	109.5	H02B—C10B—H03B	109.5
C14A—C11A—C12A	108.71 (18)	C12B—C11B—C14B	108.93 (17)
C14A—C11A—C13A	109.02 (17)	C12B—C11B—C13B	109.49 (18)
C12A—C11A—C13A	108.91 (17)	C14B—C11B—C13B	108.81 (17)
C14A—C11A—Si1A	110.14 (13)	C12B—C11B—Si1B	110.27 (13)
C12A—C11A—Si1A	110.31 (13)	C14B—C11B—Si1B	110.15 (12)
C13A—C11A—Si1A	109.72 (14)	C13B—C11B—Si1B	109.17 (14)
C11A—C14A—H41A	109.5	C11B—C13B—H31B	109.5
C11A—C14A—H42A	109.5	C11B—C13B—H32B	109.5
H41A—C14A—H42A	109.5	H31B—C13B—H32B	109.5
C11A—C14A—H43A	109.5	C11B—C13B—H33B	109.5
H41A—C14A—H43A	109.5	H31B—C13B—H33B	109.5
H42A—C14A—H43A	109.5	H32B—C13B—H33B	109.5
C11A—C13A—H31A	109.5	C11B—C14B—H41B	109.5
C11A—C13A—H32A	109.5	C11B—C14B—H42B	109.5
H31A—C13A—H32A	109.5	H41B—C14B—H42B	109.5
C11A—C13A—H33A	109.5	C11B—C14B—H43B	109.5
H31A—C13A—H33A	109.5	H41B—C14B—H43B	109.5
H32A—C13A—H33A	109.5	H42B—C14B—H43B	109.5
C11A—C12A—H21A	109.5	C11B—C12B—H21B	109.5
C11A—C12A—H22A	109.5	C11B—C12B—H22B	109.5
H21A—C12A—H22A	109.5	H21B—C12B—H22B	109.5
C11A—C12A—H23A	109.5	C11B—C12B—H23B	109.5
H21A—C12A—H23A	109.5	H21B—C12B—H23B	109.5
H22A—C12A—H23A	109.5	H22B—C12B—H23B	109.5
Si2A—C15A—H51A	109.5	Si2B—C15B—H51B	109.5
Si2A—C15A—H52A	109.5	Si2B—C15B—H52B	109.5
H51A—C15A—H52A	109.5	H51B—C15B—H52B	109.5
Si2A—C15A—H53A	109.5	Si2B—C15B—H53B	109.5
H51A—C15A—H53A	109.5	H51B—C15B—H53B	109.5
H52A—C15A—H53A	109.5	H52B—C15B—H53B	109.5
Si2A—C16A—H61A	109.5	Si2B—C16B—H61B	109.5
Si2A—C16A—H62A	109.5	Si2B—C16B—H62B	109.5
H61A—C16A—H62A	109.5	H61B—C16B—H62B	109.5
Si2A—C16A—H63A	109.5	Si2B—C16B—H63B	109.5
H61A—C16A—H63A	109.5	H61B—C16B—H63B	109.5
H62A—C16A—H63A	109.5	H62B—C16B—H63B	109.5
C18A—C17A—C19A	109.63 (17)	C18B—C17B—C20B	109.17 (17)
C18A—C17A—C20A	108.90 (17)	C18B—C17B—C19B	109.09 (18)
C19A—C17A—C20A	108.26 (16)	C20B—C17B—C19B	108.91 (17)
C18A—C17A—Si2A	110.81 (12)	C18B—C17B—Si2B	109.88 (14)
C19A—C17A—Si2A	110.77 (13)	C20B—C17B—Si2B	109.72 (14)
C20A—C17A—Si2A	108.40 (13)	C19B—C17B—Si2B	110.05 (13)
C17A—C19A—H91A	109.5	C17B—C20B—H04B	109.5
C17A—C19A—H92A	109.5	C17B—C20B—H05B	109.5
H91A—C19A—H92A	109.5	H04B—C20B—H05B	109.5
C17A—C19A—H93A	109.5	C17B—C20B—H06B	109.5
H91A—C19A—H93A	109.5	H04B—C20B—H06B	109.5
H92A—C19A—H93A	109.5	H05B—C20B—H06B	109.5
C17A—C18A—H81A	109.5	C17B—C18B—H81B	109.5
C17A—C18A—H82A	109.5	C17B—C18B—H82B	109.5
H81A—C18A—H82A	109.5	H81B—C18B—H82B	109.5
C17A—C18A—H83A	109.5	C17B—C18B—H83B	109.5
H81A—C18A—H83A	109.5	H81B—C18B—H83B	109.5
H82A—C18A—H83A	109.5	H82B—C18B—H83B	109.5
C17A—C20A—H04A	109.5	C17B—C19B—H91B	109.5
C17A—C20A—H05A	109.5	C17B—C19B—H92B	109.5
H04A—C20A—H05A	109.5	H91B—C19B—H92B	109.5
C17A—C20A—H06A	109.5	C17B—C19B—H93B	109.5
H04A—C20A—H06A	109.5	H91B—C19B—H93B	109.5
H05A—C20A—H06A	109.5	H92B—C19B—H93B	109.5
C9A—Si1A—O4A—C2A	−117.87 (15)	C7B—O6B—C3B—C2B	59.60 (18)
C10A—Si1A—O4A—C2A	1.73 (16)	O4B—C2B—C3B—O2B	−53.9 (2)
C11A—Si1A—O4A—C2A	122.57 (14)	C1B—C2B—C3B—O2B	−174.97 (14)
C15A—Si2A—O5A—C6A	159.98 (14)	O4B—C2B—C3B—O6B	65.26 (18)
C16A—Si2A—O5A—C6A	39.71 (15)	C1B—C2B—C3B—O6B	−55.79 (18)
C17A—Si2A—O5A—C6A	−82.02 (14)	O4B—C2B—C3B—C4B	−174.90 (14)
C5A—O1A—C1A—C8A	−60.85 (18)	C1B—C2B—C3B—C4B	64.05 (18)
C5A—O1A—C1A—C2A	60.48 (18)	O2B—C3B—C4B—C5B	176.05 (14)
Si1A—O4A—C2A—C1A	−108.74 (15)	O6B—C3B—C4B—C5B	59.16 (17)
Si1A—O4A—C2A—C3A	132.29 (13)	C2B—C3B—C4B—C5B	−61.23 (17)
O1A—C1A—C2A—O4A	175.84 (13)	C1B—O1B—C5B—C4B	−59.51 (18)
C8A—C1A—C2A—O4A	−62.24 (17)	C1B—O1B—C5B—C6B	61.00 (18)
O1A—C1A—C2A—C3A	−62.56 (17)	C3B—C4B—C5B—O1B	58.81 (18)
C8A—C1A—C2A—C3A	59.36 (17)	C3B—C4B—C5B—C6B	−61.40 (17)
C7A—O6A—C3A—O2A	179.70 (12)	Si2B—O5B—C6B—C7B	131.92 (13)
C7A—O6A—C3A—C4A	−60.55 (17)	Si2B—O5B—C6B—C5B	−109.16 (14)
C7A—O6A—C3A—C2A	58.36 (17)	O1B—C5B—C6B—O5B	176.67 (13)
O4A—C2A—C3A—O2A	−52.01 (19)	C4B—C5B—C6B—O5B	−61.79 (17)
C1A—C2A—C3A—O2A	−173.07 (14)	O1B—C5B—C6B—C7B	−61.81 (17)
O4A—C2A—C3A—O6A	65.21 (18)	C4B—C5B—C6B—C7B	59.74 (17)
C1A—C2A—C3A—O6A	−55.85 (18)	C3B—O6B—C7B—O3B	176.64 (13)
O4A—C2A—C3A—C4A	−174.86 (14)	C3B—O6B—C7B—C6B	57.33 (17)
C1A—C2A—C3A—C4A	64.09 (17)	C3B—O6B—C7B—C8B	−60.78 (17)
O2A—C3A—C4A—C5A	175.55 (13)	O5B—C6B—C7B—O3B	−54.55 (19)
O6A—C3A—C4A—C5A	59.63 (17)	C5B—C6B—C7B—O3B	−173.98 (14)
C2A—C3A—C4A—C5A	−61.16 (17)	O5B—C6B—C7B—O6B	63.22 (17)
C1A—O1A—C5A—C4A	−59.02 (19)	C5B—C6B—C7B—O6B	−56.21 (17)
C1A—O1A—C5A—C6A	61.80 (18)	O5B—C6B—C7B—C8B	−178.46 (14)
C3A—C4A—C5A—O1A	58.34 (18)	C5B—C6B—C7B—C8B	62.11 (18)
C3A—C4A—C5A—C6A	−61.11 (17)	O1B—C1B—C8B—C7B	58.48 (18)
Si2A—O5A—C6A—C7A	145.39 (12)	C2B—C1B—C8B—C7B	−61.44 (18)
Si2A—O5A—C6A—C5A	−95.67 (16)	O3B—C7B—C8B—C1B	178.41 (15)
O1A—C5A—C6A—O5A	176.89 (13)	O6B—C7B—C8B—C1B	59.88 (18)
C4A—C5A—C6A—O5A	−61.41 (18)	C6B—C7B—C8B—C1B	−60.09 (18)
O1A—C5A—C6A—C7A	−62.55 (17)	O4B—Si1B—C11B—C12B	50.45 (16)
C4A—C5A—C6A—C7A	59.16 (17)	C9B—Si1B—C11B—C12B	−63.39 (16)
C3A—O6A—C7A—O3A	−178.74 (13)	C10B—Si1B—C11B—C12B	172.75 (14)
C3A—O6A—C7A—C8A	−60.08 (17)	O4B—Si1B—C11B—C14B	−69.81 (15)
C3A—O6A—C7A—C6A	58.96 (17)	C9B—Si1B—C11B—C14B	176.35 (14)
O5A—C6A—C7A—O3A	−52.93 (19)	C10B—Si1B—C11B—C14B	52.50 (16)
C5A—C6A—C7A—O3A	−174.41 (14)	O4B—Si1B—C11B—C13B	170.78 (14)
O5A—C6A—C7A—O6A	65.37 (17)	C9B—Si1B—C11B—C13B	56.94 (17)
C5A—C6A—C7A—O6A	−56.10 (17)	C10B—Si1B—C11B—C13B	−66.92 (16)
O5A—C6A—C7A—C8A	−174.91 (14)	O5B—Si2B—C17B—C18B	59.48 (16)
C5A—C6A—C7A—C8A	63.61 (17)	C15B—Si2B—C17B—C18B	−58.97 (19)
O3A—C7A—C8A—C1A	175.88 (14)	C16B—Si2B—C17B—C18B	178.00 (16)
O6A—C7A—C8A—C1A	59.79 (18)	O5B—Si2B—C17B—C20B	179.52 (14)
C6A—C7A—C8A—C1A	−60.57 (18)	C15B—Si2B—C17B—C20B	61.07 (19)
O1A—C1A—C8A—C7A	58.66 (18)	C16B—Si2B—C17B—C20B	−61.96 (18)
C2A—C1A—C8A—C7A	−61.85 (18)	O5B—Si2B—C17B—C19B	−60.66 (15)
O4A—Si1A—C11A—C14A	59.24 (15)	C15B—Si2B—C17B—C19B	−179.12 (17)
C9A—Si1A—C11A—C14A	−57.73 (16)	C16B—Si2B—C17B—C19B	57.86 (18)
C10A—Si1A—C11A—C14A	180.00 (14)	C1A—C2A—O2A—H2OA	−111
O4A—Si1A—C11A—C12A	−60.76 (16)	C6A—C7A—O3A—H3OA	54
C9A—Si1A—C11A—C12A	−177.73 (14)	C1A—C2A—O4A—Si1A	−108.7 (2)
C10A—Si1A—C11A—C12A	60.00 (17)	C2A—O4A—Si1A—C9A	−117.9 (2)
O4A—Si1A—C11A—C13A	179.25 (14)	C2A—O4A—Si1A—C10A	1.7 (2)
C9A—Si1A—C11A—C13A	62.28 (17)	C2A—O4A—Si1A—C11A	122.6 (1)
C10A—Si1A—C11A—C13A	−59.99 (17)	O4A—Si1A—C11A—C12A	−60.8 (2)
O5A—Si2A—C17A—C18A	72.81 (15)	O4A—Si1A—C11A—C13A	179.3 (1)
C15A—Si2A—C17A—C18A	−172.54 (14)	O4A—Si1A—C11A—C14A	59.2 (2)
C16A—Si2A—C17A—C18A	−49.45 (16)	C5A—C6A—O5A—Si2A	−95.7 (2)
O5A—Si2A—C17A—C19A	−49.10 (15)	C6A—O5A—Si2A—C15A	160.0 (1)
C15A—Si2A—C17A—C19A	65.56 (15)	C6A—O5A—Si2A—C16A	39.7 (2)
C16A—Si2A—C17A—C19A	−171.35 (13)	C6A—O5A—Si2A—C17A	−82.0 (1)
O5A—Si2A—C17A—C20A	−167.75 (12)	O5A—Si2A—C17A—C18A	72.8 (2)
C15A—Si2A—C17A—C20A	−53.10 (16)	O5A—Si2A—C17A—C19A	−49.1 (2)
C16A—Si2A—C17A—C20A	70.00 (15)	O5A—Si2A—C17A—C20A	−167.8 (1)
C9B—Si1B—O4B—C2B	−153.38 (14)	C1B—C2B—O2B—H2OB	−112
C10B—Si1B—O4B—C2B	−32.79 (16)	C6B—C7B—O3B—H3OB	−155
C11B—Si1B—O4B—C2B	88.02 (15)	C1B—C2B—O4B—Si1B	−127.8 (1)
C15B—Si2B—O5B—C6B	−68.69 (16)	C2B—O4B—Si1B—C9B	−153.4 (1)
C16B—Si2B—O5B—C6B	52.24 (17)	C2B—O4B—Si1B—C10B	−32.8 (2)
C17B—Si2B—O5B—C6B	171.29 (12)	C2B—O4B—Si1B—C11B	88.0 (2)
C5B—O1B—C1B—C8B	−59.92 (18)	O4B—Si1B—C11B—C12B	50.5 (2)
C5B—O1B—C1B—C2B	61.15 (17)	O4B—Si1B—C11B—C13B	170.8 (1)
Si1B—O4B—C2B—C1B	−127.81 (13)	O4B—Si1B—C11B—C14B	−69.8 (2)
Si1B—O4B—C2B—C3B	113.13 (15)	C5B—C6B—O5B—Si2B	−109.2 (1)
O1B—C1B—C2B—O4B	175.24 (12)	C6B—O5B—Si2B—C15B	−68.7 (2)
C8B—C1B—C2B—O4B	−63.36 (17)	C6B—O5B—Si2B—C16B	52.2 (2)
O1B—C1B—C2B—C3B	−63.03 (17)	C6B—O5B—Si2B—C17B	171.3 (1)
C8B—C1B—C2B—C3B	58.37 (17)	O5B—Si2B—C17B—C18B	59.5 (2)
C7B—O6B—C3B—O2B	−177.56 (12)	O5B—Si2B—C17B—C19B	−60.7 (2)
C7B—O6B—C3B—C4B	−58.53 (17)	O5B—Si2B—C17B—C20B	179.5 (1)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O2A—H2OA···O1B	0.84	2.14	2.922 (2)	154
O2B—H2OB···O1A^i	0.84	2.46	3.164 (2)	142
O3B—H3OB···O2A^ii	0.84	1.97	2.801 (2)	171
C6A—H6A···O2B^iii	1.00	2.60	3.463 (2)	144

Symmetry codes: (i) x+1/2, −y+1/2, z+1/2; (ii) −x+1/2, y+1/2, −z+3/2; (iii) x−1/2, −y+1/2, z−1/2.