(1R,2R)-1,3-Bis(tert-butyl­di­methyl­silyl­oxy)-2-(4-hydroxy­butan­amido)-1-(4-nitro­phenyl)­propane

The title compound, C₂₅H₄₆N₂O₆Si₂, is a new derivative of chloramphenicol. At 180 K, the structure has Z' = 2 in space group P2₁.

Key indicators

• Single-crystal X-ray study
• T = 180 K
• Mean [sigma](C-C) = 0.012 Å
• R factor = 0.056
• wR factor = 0.148
• Data-to-parameter ratio = 6.3

checkCIF/PLATON results

No syntax errors found



Alert level A
THETM01_ALERT_3_A  The value of sine(theta_max)/wavelength is less than 0.550
            Calculated sin(theta_max)/wavelength =    0.5276

Author Response: Diffraction was relatively weak and data were truncated at 0.95 \%A.

PLAT023_ALERT_3_A Resolution (too) Low [sin(th)/Lambda < 0.6].....      22.02 Deg.
PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............      22.02 Deg.
PLAT220_ALERT_2_A Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       5.68 Ratio
PLAT222_ALERT_3_A Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       7.22 Ratio
PLAT242_ALERT_2_A Check Low    U(eq) as Compared to Neighbors ....       Si2A

Alert level B
PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) .......          6
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.03 Ratio
PLAT242_ALERT_2_B Check Low    U(eq) as Compared to Neighbors ....       C17A
PLAT340_ALERT_3_B Low Bond Precision on C-C bonds (x 1000) Ang ...         12
PLAT415_ALERT_2_B Short Inter D-H..H-X       H6OA   ..  H3B'    ..       1.91 Ang.
PLAT417_ALERT_2_B Short Inter D-H..H-D       H6OA   ..  HN2B    ..       1.56 Ang.

Alert level C
REFNR01_ALERT_3_C  Ratio of reflections to parameters is < 8 for a
            non-centrosymmetric structure, where ZMAX < 18
            sine(theta)/lambda                0.5276
            Proportion of unique data used    1.0000
            Ratio reflections to parameters   6.2559
PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) .....       6.26
PLAT213_ALERT_2_C Atom C19A    has ADP max/min Ratio .............       3.10 prolat
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.15 Ratio
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....       C23A
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....       C17'
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....       Si1B
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....       C17B
PLAT301_ALERT_3_C Main Residue  Disorder .........................       9.00 Perc.
PLAT413_ALERT_2_C Short Inter XH3 .. XHn     H11D   ..  H12D    ..       2.13 Ang.
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         12

Alert level G
REFLT03_ALERT_4_G  WARNING: Large fraction of Friedel related reflns may
                     be needed to determine absolute structure
           From the CIF: _diffrn_reflns_theta_max           22.02
           From the CIF: _reflns_number_total               3985
           Count of symmetry unique reflns         4011
           Completeness (_total/calc)             99.35%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present          yes

   6 ALERT level A = In general: serious problem
   6 ALERT level B = Potentially serious problem
  11 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  13 ALERT type 2 Indicator that the structure model may be wrong or deficient
   9 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

---

Computing details

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

(1R,2R)-1,3-Bis(tert-butyldimethylsilyloxy)-2-(4-hydroxybutanamido)- 1-(4-nitrophenyl)propane

Crystal data

C25H46N2O6Si2	F(000) = 1144
Mr = 526.82	Dx = 1.135 Mg m^−3
Monoclinic, P21	Melting point = 359–361 K
Hall symbol: P 2yb	Mo Kα radiation, λ = 0.7107 Å
a = 14.9014 (12) Å	Cell parameters from 2489 reflections
b = 12.0241 (10) Å	θ = 2.4–18.4°
c = 17.2103 (14) Å	µ = 0.15 mm^−1
β = 91.288 (2)°	T = 180 K
V = 3082.9 (4) Å^3	Needle, colourless
Z = 4	0.50 × 0.10 × 0.10 mm

Data collection

Bruker SMART 1000 CCD diffractometer	3985 independent reflections
Radiation source: fine-focus sealed tube	2691 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.076
Thin–slice ω scans	θmax = 22.0°, θmin = 3.6°
Absorption correction: multi-scan (SADABS; Sheldrick, 2002	h = −15→15
Tmin = 0.881, Tmax = 0.985	k = −12→7
12674 measured reflections	l = −18→18

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.056	H-atom parameters constrained
wR(F^2) = 0.148	w = 1/[σ^2(Fo^2) + (0.0794P)^2 + 0.6178P] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max < 0.001
3985 reflections	Δρmax = 0.33 e Å^−3
637 parameters	Δρmin = −0.36 e Å^−3
53 restraints	Absolute structure: Friedel opposites (1809 pairs) merged prior to final refinement
Primary atom site location: structure-invariant direct methods

Special details

Experimental. Diffraction relatively weak - data truncated at ca 22 degrees theta (0.95 angstrom resolution). Absolute structure cannot be determined reliably - assigned by chemist on basis of known starting materials. Friedel opposites (1809 pairs) merged prior to final refinement. One Si(CH3)2 C(CH3)3 group modelled as disordered over two orientations.

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	Occ. (<1)
Si1A	0.1811 (4)	0.6335 (5)	0.3811 (4)	0.0558 (18)	0.55
C12A	0.2561 (11)	0.5195 (13)	0.3462 (10)	0.082 (6)*	0.55
H12A	0.3181	0.5466	0.3450	0.122*	0.55
H12B	0.2366	0.4966	0.2938	0.122*	0.55
H12C	0.2528	0.4558	0.3815	0.122*	0.55
C13A	0.2295 (12)	0.6837 (17)	0.4763 (8)	0.093 (7)*	0.55
H13A	0.2930	0.7025	0.4701	0.140*	0.55
H13B	0.2242	0.6250	0.5154	0.140*	0.55
H13C	0.1967	0.7498	0.4930	0.140*	0.55
C14A	0.0165 (14)	0.5874 (17)	0.3056 (8)	0.107 (7)*	0.55
H14A	0.0269	0.6565	0.2771	0.161*	0.55
H14B	−0.0482	0.5754	0.3104	0.161*	0.55
H14C	0.0427	0.5249	0.2774	0.161*	0.55
C15A	0.0136 (13)	0.6915 (12)	0.4297 (10)	0.082 (6)*	0.55
H15A	0.0238	0.7615	0.4021	0.123*	0.55
H15B	0.0384	0.6971	0.4828	0.123*	0.55
H15C	−0.0510	0.6768	0.4315	0.123*	0.55
C16A	0.0428 (19)	0.4881 (12)	0.4307 (11)	0.086 (10)*	0.55
H16A	0.0713	0.4925	0.4826	0.129*	0.55
H16B	0.0681	0.4253	0.4023	0.129*	0.55
H16C	−0.0220	0.4775	0.4358	0.129*	0.55
C17A	0.0602 (6)	0.5955 (11)	0.3866 (8)	0.050 (5)*	0.55
Si1'	0.1640 (7)	0.6022 (7)	0.3411 (5)	0.089 (4)	0.45
C12'	0.1607 (14)	0.5106 (17)	0.2553 (9)	0.078 (7)*	0.45
H12D	0.2115	0.5277	0.2222	0.117*	0.45
H12E	0.1044	0.5226	0.2260	0.117*	0.45
H12F	0.1643	0.4329	0.2721	0.117*	0.45
C13'	0.2629 (13)	0.559 (2)	0.4061 (11)	0.095 (8)*	0.45
H13D	0.2650	0.6064	0.4526	0.142*	0.45
H13E	0.3188	0.5681	0.3777	0.142*	0.45
H13F	0.2560	0.4814	0.4215	0.142*	0.45
C14'	0.1003 (18)	0.668 (2)	0.4914 (13)	0.108 (9)*	0.45
H14D	0.1089	0.7456	0.4769	0.162*	0.45
H14E	0.1549	0.6396	0.5175	0.162*	0.45
H14F	0.0498	0.6616	0.5266	0.162*	0.45
C15'	−0.002 (2)	0.645 (3)	0.3764 (17)	0.173 (16)*	0.45
H15D	−0.0149	0.5993	0.3301	0.260*	0.45
H15E	0.0083	0.7219	0.3608	0.260*	0.45
H15F	−0.0539	0.6418	0.4108	0.260*	0.45
C16'	0.066 (2)	0.4785 (16)	0.4410 (16)	0.098 (14)*	0.45
H16D	0.0530	0.4352	0.3937	0.148*	0.45
H16E	0.0147	0.4732	0.4757	0.148*	0.45
H16F	0.1197	0.4490	0.4673	0.148*	0.45
C17'	0.0810 (12)	0.5996 (18)	0.4195 (10)	0.095 (10)*	0.45
Si2A	0.1885 (2)	1.0742 (2)	0.35236 (18)	0.0717 (9)
O1A	−0.0454 (6)	1.0859 (8)	−0.0836 (4)	0.102 (3)
O2A	0.0611 (6)	1.2074 (8)	−0.0794 (5)	0.095 (3)
O3A	0.2166 (3)	1.0105 (5)	0.2711 (3)	0.0460 (15)
O4A	0.1835 (4)	0.7367 (5)	0.3206 (3)	0.0563 (17)
O5A	0.3098 (4)	0.7196 (5)	0.0913 (4)	0.0613 (18)
O6A	0.4877 (3)	0.9643 (5)	−0.0858 (3)	0.0473 (15)
H6OA	0.4597	0.9274	−0.1200	0.071*
N1A	0.0199 (7)	1.1271 (10)	−0.0536 (5)	0.072 (3)
N2A	0.2998 (4)	0.8743 (6)	0.1633 (4)	0.0421 (17)
HN2A	0.3226	0.9402	0.1742	0.051*
C1A	0.0583 (7)	1.0782 (9)	0.0198 (5)	0.052 (2)
C2A	0.0182 (6)	0.9818 (8)	0.0488 (6)	0.058 (3)
H2A	−0.0319	0.9482	0.0231	0.069*
C2A'	0.1305 (6)	1.1263 (8)	0.0567 (6)	0.059 (3)
H2A'	0.1574	1.1908	0.0354	0.071*
C3A	0.0541 (6)	0.9387 (8)	0.1152 (6)	0.054 (2)
H3A	0.0293	0.8722	0.1353	0.065*
C3A'	0.1636 (5)	1.0821 (7)	0.1236 (5)	0.045 (2)
H3A'	0.2135	1.1162	0.1494	0.054*
C4A	0.1257 (6)	0.9879 (7)	0.1548 (5)	0.043 (2)
C5A	0.1642 (5)	0.9339 (7)	0.2287 (5)	0.042 (2)
H5A	0.1140	0.9072	0.2614	0.050*
C6A	0.2249 (5)	0.8353 (7)	0.2082 (4)	0.040 (2)
H6A	0.1890	0.7820	0.1754	0.048*
C7A	0.2567 (6)	0.7762 (8)	0.2792 (5)	0.056 (3)
H7A	0.2955	0.7131	0.2646	0.067*
H7B	0.2927	0.8274	0.3124	0.067*
C8A	0.3357 (5)	0.8158 (9)	0.1067 (5)	0.044 (2)
C9A	0.4067 (5)	0.8743 (7)	0.0606 (4)	0.038 (2)
H9A	0.4452	0.8187	0.0349	0.045*
H9B	0.4452	0.9198	0.0957	0.045*
C10A	0.3609 (5)	0.9495 (8)	−0.0013 (4)	0.045 (2)
H10A	0.3308	0.9021	−0.0411	0.054*
H10B	0.3142	0.9947	0.0237	0.054*
C11A	0.4254 (5)	1.0255 (7)	−0.0405 (5)	0.047 (2)
H11A	0.3916	1.0778	−0.0747	0.056*
H11B	0.4586	1.0697	−0.0008	0.056*
C18A	0.0941 (8)	1.1678 (12)	0.3334 (8)	0.165 (8)
H18A	0.0416	1.1244	0.3162	0.248*
H18B	0.1098	1.2209	0.2928	0.248*
H18C	0.0801	1.2081	0.3811	0.248*
C19A	0.1663 (13)	0.9726 (11)	0.4309 (7)	0.216 (11)
H19A	0.2190	0.9248	0.4390	0.325*
H19B	0.1143	0.9268	0.4161	0.325*
H19C	0.1540	1.0126	0.4791	0.325*
C20A	0.3107 (8)	1.2438 (9)	0.3219 (6)	0.104 (4)
H20A	0.3239	1.2080	0.2722	0.156*
H20B	0.3624	1.2886	0.3391	0.156*
H20C	0.2579	1.2918	0.3153	0.156*
C21A	0.2756 (9)	1.2096 (10)	0.4607 (5)	0.127 (6)
H21A	0.2221	1.2567	0.4563	0.191*
H21B	0.3277	1.2555	0.4752	0.191*
H21C	0.2667	1.1529	0.5007	0.191*
C22A	0.3731 (8)	1.0782 (10)	0.3868 (8)	0.139 (6)
H22A	0.3807	1.0429	0.3360	0.208*
H22B	0.3646	1.0206	0.4263	0.208*
H22C	0.4266	1.1220	0.4002	0.208*
C23A	0.2917 (6)	1.1537 (8)	0.3834 (5)	0.080 (4)
Si1B	0.65245 (18)	−0.1064 (2)	0.23205 (14)	0.0553 (8)
Si2B	0.78532 (15)	0.3626 (2)	0.21049 (13)	0.0452 (7)
O1B	0.4400 (4)	0.5230 (7)	0.5209 (4)	0.084 (2)
O2B	0.4662 (5)	0.6563 (7)	0.4406 (4)	0.083 (2)
O3B	0.6829 (3)	0.3129 (4)	0.1941 (3)	0.0354 (13)
O5B	0.3956 (3)	0.1096 (5)	0.1595 (3)	0.0421 (14)
O4B	0.6692 (3)	0.0252 (4)	0.2122 (3)	0.0493 (15)
O6B	0.3430 (4)	0.5146 (5)	0.0396 (3)	0.0568 (16)
H6OB	0.3729	0.5454	0.0756	0.085*
N1B	0.4692 (5)	0.5586 (9)	0.4603 (5)	0.064 (2)
N2B	0.5048 (4)	0.2380 (5)	0.1555 (3)	0.0328 (16)
HN2B	0.5225	0.3023	0.1368	0.039*
C1B	0.5086 (5)	0.4788 (8)	0.4064 (5)	0.045 (2)
C2B	0.5302 (5)	0.3749 (8)	0.4305 (5)	0.048 (2)
H2B	0.5174	0.3514	0.4818	0.057*
C2B'	0.5222 (5)	0.5140 (7)	0.3309 (5)	0.048 (2)
H2B'	0.5062	0.5872	0.3148	0.058*
C3B	0.5703 (5)	0.3049 (7)	0.3804 (5)	0.044 (2)
H3B	0.5881	0.2331	0.3979	0.052*
C3B'	0.5596 (5)	0.4395 (7)	0.2794 (5)	0.040 (2)
H3B'	0.5671	0.4604	0.2267	0.047*
C4B	0.5861 (5)	0.3348 (7)	0.3044 (4)	0.035 (2)
C5B	0.6306 (5)	0.2539 (6)	0.2495 (4)	0.033 (2)
H5B	0.6725	0.2063	0.2812	0.039*
C6B	0.5652 (5)	0.1777 (7)	0.2073 (4)	0.0324 (19)
H6B	0.5282	0.1396	0.2471	0.039*
C7B	0.6137 (5)	0.0888 (7)	0.1617 (5)	0.042 (2)
H7C	0.5694	0.0397	0.1352	0.051*
H7D	0.6507	0.1243	0.1215	0.051*
C8B	0.4224 (5)	0.2000 (7)	0.1346 (4)	0.033 (2)
C9B	0.3679 (5)	0.2729 (7)	0.0807 (4)	0.041 (2)
H9C	0.3268	0.2258	0.0489	0.049*
H9D	0.4085	0.3118	0.0451	0.049*
C10B	0.3130 (5)	0.3588 (7)	0.1244 (5)	0.047 (2)
H10C	0.2634	0.3204	0.1508	0.057*
H10D	0.3517	0.3939	0.1648	0.057*
C11B	0.2738 (5)	0.4487 (8)	0.0720 (6)	0.059 (3)
H11C	0.2377	0.4139	0.0296	0.071*
H11D	0.2336	0.4968	0.1023	0.071*
C12B	0.5426 (6)	−0.1198 (9)	0.2812 (6)	0.090 (4)
H12G	0.4939	−0.0983	0.2451	0.135*
H12H	0.5422	−0.0712	0.3269	0.135*
H12I	0.5341	−0.1971	0.2975	0.135*
C13B	0.6499 (8)	−0.1912 (9)	0.1420 (5)	0.104 (5)
H13G	0.5999	−0.1670	0.1082	0.157*
H13H	0.6420	−0.2698	0.1554	0.157*
H13I	0.7065	−0.1818	0.1148	0.157*
C14B	0.7559 (7)	−0.0667 (8)	0.3659 (5)	0.094 (4)
H14G	0.7654	0.0085	0.3456	0.141*
H14H	0.8072	−0.0882	0.3991	0.141*
H14I	0.7011	−0.0680	0.3963	0.141*
C15B	0.8338 (6)	−0.1488 (9)	0.2535 (5)	0.091 (4)
H15G	0.8276	−0.1999	0.2093	0.136*
H15H	0.8833	−0.1736	0.2877	0.136*
H15I	0.8465	−0.0738	0.2345	0.136*
C16B	0.7303 (8)	−0.2651 (7)	0.3304 (5)	0.087 (4)
H16G	0.7233	−0.3173	0.2869	0.131*
H16H	0.6756	−0.2654	0.3610	0.131*
H16I	0.7815	−0.2877	0.3634	0.131*
C17B	0.7465 (5)	−0.1476 (6)	0.2988 (4)	0.057 (3)
C18B	0.7847 (6)	0.5057 (6)	0.1692 (5)	0.055 (2)
H18D	0.7414	0.5516	0.1968	0.082*
H18E	0.7676	0.5025	0.1139	0.082*
H18F	0.8447	0.5383	0.1751	0.082*
C19B	0.8101 (6)	0.3680 (9)	0.3167 (4)	0.073 (3)
H19D	0.7647	0.4134	0.3421	0.110*
H19E	0.8695	0.4009	0.3260	0.110*
H19F	0.8092	0.2925	0.3381	0.110*
C20B	0.9610 (5)	0.3309 (8)	0.1633 (6)	0.079 (3)
H20D	0.9800	0.3380	0.2180	0.118*
H20E	0.9577	0.4048	0.1395	0.118*
H20F	1.0045	0.2852	0.1358	0.118*
C21B	0.8740 (6)	0.1594 (7)	0.1943 (6)	0.083 (3)
H21D	0.8933	0.1654	0.2490	0.125*
H21E	0.9172	0.1141	0.1661	0.125*
H21F	0.8147	0.1243	0.1909	0.125*
C22B	0.8397 (6)	0.2648 (9)	0.0731 (5)	0.081 (3)
H22D	0.7805	0.2293	0.0696	0.121*
H22E	0.8834	0.2192	0.0456	0.121*
H22F	0.8364	0.3388	0.0493	0.121*
C23B	0.8689 (5)	0.2758 (6)	0.1582 (5)	0.058 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Si1A	0.048 (3)	0.057 (4)	0.063 (5)	0.016 (3)	0.020 (3)	0.030 (4)
Si1'	0.148 (9)	0.080 (7)	0.039 (5)	−0.044 (6)	0.041 (5)	−0.016 (5)
Si2A	0.078 (2)	0.064 (2)	0.075 (2)	−0.0050 (16)	0.0360 (17)	−0.0206 (17)
O1A	0.111 (7)	0.121 (7)	0.071 (6)	0.017 (6)	−0.040 (5)	−0.012 (5)
O2A	0.106 (7)	0.094 (7)	0.084 (6)	0.040 (5)	0.009 (5)	0.026 (5)
O3A	0.049 (3)	0.050 (4)	0.040 (3)	0.005 (3)	0.010 (3)	−0.005 (3)
O4A	0.054 (4)	0.055 (4)	0.061 (4)	0.001 (3)	0.024 (3)	0.014 (3)
O5A	0.062 (4)	0.035 (4)	0.087 (5)	0.002 (3)	0.013 (3)	−0.014 (4)
O6A	0.057 (4)	0.040 (3)	0.045 (3)	−0.006 (3)	0.012 (3)	−0.018 (3)
N1A	0.083 (8)	0.080 (8)	0.055 (7)	0.036 (6)	0.011 (6)	−0.001 (6)
N2A	0.045 (4)	0.035 (4)	0.046 (4)	−0.004 (3)	0.013 (4)	0.001 (4)
C1A	0.059 (7)	0.047 (7)	0.050 (6)	0.030 (6)	0.001 (5)	0.002 (5)
C2A	0.054 (6)	0.055 (7)	0.064 (7)	0.010 (5)	−0.002 (5)	−0.016 (6)
C2A'	0.052 (6)	0.057 (7)	0.068 (7)	0.007 (5)	0.016 (5)	0.011 (6)
C3A	0.049 (6)	0.052 (6)	0.062 (7)	0.000 (5)	0.003 (5)	−0.006 (5)
C3A'	0.038 (5)	0.037 (6)	0.060 (6)	0.003 (5)	0.003 (5)	0.008 (5)
C4A	0.045 (6)	0.031 (6)	0.053 (6)	0.009 (4)	0.017 (5)	−0.004 (5)
C5A	0.037 (5)	0.035 (6)	0.055 (6)	0.001 (4)	0.009 (4)	0.003 (5)
C6A	0.037 (5)	0.037 (5)	0.046 (5)	0.002 (4)	0.002 (4)	0.007 (4)
C7A	0.052 (6)	0.049 (6)	0.067 (7)	0.001 (5)	0.012 (5)	0.012 (5)
C8A	0.039 (5)	0.051 (7)	0.042 (5)	0.009 (5)	0.004 (4)	0.000 (5)
C9A	0.036 (5)	0.038 (5)	0.039 (5)	0.005 (4)	0.006 (4)	0.003 (4)
C10A	0.047 (5)	0.052 (6)	0.037 (5)	−0.001 (5)	0.007 (4)	−0.008 (5)
C11A	0.052 (5)	0.038 (5)	0.051 (5)	0.013 (5)	0.022 (4)	−0.006 (5)
C18A	0.090 (10)	0.233 (19)	0.171 (15)	0.067 (12)	−0.049 (9)	−0.119 (15)
C19A	0.41 (3)	0.123 (14)	0.121 (13)	−0.067 (18)	0.158 (16)	−0.021 (12)
C20A	0.133 (11)	0.083 (9)	0.097 (9)	−0.030 (8)	0.022 (8)	0.002 (8)
C21A	0.218 (16)	0.118 (12)	0.045 (7)	−0.066 (11)	0.015 (8)	−0.029 (7)
C22A	0.101 (11)	0.146 (14)	0.167 (14)	−0.021 (10)	−0.044 (9)	0.010 (12)
C23A	0.097 (9)	0.080 (8)	0.061 (7)	0.021 (7)	−0.044 (6)	−0.032 (7)
Si1B	0.086 (2)	0.0323 (16)	0.0469 (16)	0.0044 (13)	−0.0171 (14)	−0.0031 (13)
Si2B	0.0391 (14)	0.0453 (17)	0.0512 (15)	−0.0023 (12)	0.0037 (11)	−0.0013 (13)
O1B	0.090 (5)	0.106 (6)	0.056 (5)	0.006 (5)	0.029 (4)	−0.019 (5)
O2B	0.104 (6)	0.057 (5)	0.089 (6)	0.008 (5)	0.026 (4)	−0.025 (5)
O3B	0.030 (3)	0.040 (3)	0.036 (3)	−0.001 (2)	0.004 (2)	−0.005 (3)
O5B	0.049 (4)	0.033 (4)	0.044 (4)	−0.006 (3)	−0.001 (3)	0.000 (3)
O4B	0.054 (4)	0.025 (3)	0.068 (4)	0.014 (3)	−0.013 (3)	−0.001 (3)
O6B	0.057 (4)	0.043 (4)	0.070 (4)	0.007 (3)	0.001 (3)	0.007 (3)
N1B	0.061 (6)	0.069 (8)	0.063 (6)	−0.004 (5)	0.009 (5)	−0.023 (6)
N2B	0.036 (4)	0.025 (4)	0.037 (4)	0.001 (3)	0.007 (3)	0.007 (3)
C1B	0.049 (6)	0.043 (7)	0.045 (6)	−0.008 (5)	0.013 (4)	−0.019 (5)
C2B	0.058 (6)	0.048 (7)	0.038 (5)	−0.013 (5)	0.010 (4)	−0.010 (5)
C2B'	0.063 (6)	0.032 (5)	0.050 (6)	0.007 (5)	0.005 (5)	−0.008 (5)
C3B	0.050 (5)	0.044 (6)	0.036 (5)	−0.005 (4)	0.002 (4)	0.001 (5)
C3B'	0.047 (5)	0.035 (6)	0.036 (5)	−0.002 (4)	0.010 (4)	0.008 (5)
C4B	0.031 (4)	0.037 (6)	0.035 (5)	−0.012 (4)	−0.003 (4)	−0.001 (4)
C5B	0.038 (5)	0.027 (5)	0.034 (5)	0.006 (4)	0.008 (4)	0.002 (4)
C6B	0.029 (4)	0.037 (5)	0.031 (5)	−0.002 (4)	−0.010 (4)	−0.001 (4)
C7B	0.056 (6)	0.030 (5)	0.041 (5)	0.009 (4)	0.001 (4)	−0.007 (4)
C8B	0.030 (5)	0.034 (6)	0.037 (5)	0.002 (4)	0.010 (4)	−0.005 (4)
C9B	0.043 (5)	0.042 (5)	0.038 (5)	0.010 (4)	0.006 (4)	−0.004 (4)
C10B	0.038 (5)	0.044 (6)	0.061 (6)	−0.001 (4)	0.008 (4)	0.011 (5)
C11B	0.044 (6)	0.041 (6)	0.093 (8)	0.009 (5)	−0.001 (5)	0.006 (6)
C12B	0.101 (9)	0.075 (9)	0.095 (8)	−0.004 (7)	0.014 (7)	0.027 (7)
C13B	0.184 (12)	0.062 (8)	0.065 (7)	0.044 (8)	−0.045 (8)	−0.027 (6)
C14B	0.116 (9)	0.084 (9)	0.080 (8)	0.020 (8)	−0.044 (7)	−0.023 (7)
C15B	0.075 (8)	0.098 (10)	0.099 (8)	0.026 (7)	−0.010 (6)	0.025 (8)
C16B	0.154 (11)	0.050 (7)	0.058 (7)	0.023 (7)	0.004 (7)	0.011 (6)
C17B	0.074 (6)	0.047 (6)	0.051 (6)	0.016 (5)	−0.001 (5)	−0.006 (5)
C18B	0.061 (6)	0.035 (6)	0.069 (6)	0.000 (5)	0.004 (5)	0.000 (5)
C19B	0.061 (6)	0.103 (9)	0.054 (6)	−0.022 (6)	−0.016 (5)	0.005 (6)
C20B	0.039 (6)	0.075 (8)	0.122 (9)	0.000 (6)	0.021 (5)	0.006 (7)
C21B	0.048 (6)	0.064 (8)	0.138 (10)	0.002 (6)	0.005 (6)	0.012 (8)
C22B	0.058 (7)	0.090 (9)	0.096 (9)	0.013 (6)	0.029 (6)	−0.020 (7)
C23B	0.039 (6)	0.051 (7)	0.084 (8)	0.013 (5)	0.014 (5)	−0.001 (6)

Geometric parameters (Å, º)

Si1A—O4A	1.622 (7)	C20A—H20A	0.980
Si1A—C17A	1.863 (9)	C20A—H20B	0.980
Si1A—C13A	1.875 (10)	C20A—H20C	0.980
Si1A—C12A	1.875 (10)	C21A—C23A	1.515 (8)
C12A—H12A	0.980	C21A—H21A	0.980
C12A—H12B	0.980	C21A—H21B	0.980
C12A—H12C	0.980	C21A—H21C	0.980
C13A—H13A	0.980	C22A—C23A	1.514 (9)
C13A—H13B	0.980	C22A—H22A	0.980
C13A—H13C	0.980	C22A—H22B	0.980
C14A—C17A	1.529 (10)	C22A—H22C	0.980
C14A—H14A	0.980	Si1B—O4B	1.638 (6)
C14A—H14B	0.980	Si1B—C13B	1.856 (7)
C14A—H14C	0.980	Si1B—C17B	1.859 (7)
C15A—C17A	1.545 (10)	Si1B—C12B	1.866 (7)
C15A—H15A	0.980	Si2B—O3B	1.657 (5)
C15A—H15B	0.980	Si2B—C19B	1.858 (7)
C15A—H15C	0.980	Si2B—C18B	1.862 (7)
C16A—C17A	1.523 (10)	Si2B—C23B	1.871 (7)
C16A—H16A	0.980	O1B—N1B	1.217 (10)
C16A—H16B	0.980	O2B—N1B	1.224 (11)
C16A—H16C	0.980	O3B—C5B	1.432 (8)
Si1'—O4A	1.683 (10)	O5B—C8B	1.239 (9)
Si1'—C12'	1.841 (10)	O4B—C7B	1.411 (9)
Si1'—C17'	1.851 (10)	O6B—C11B	1.424 (10)
Si1'—C13'	1.901 (10)	O6B—H6OB	0.840
C12'—H12D	0.980	N1B—C1B	1.466 (11)
C12'—H12E	0.980	N2B—C8B	1.351 (9)
C12'—H12F	0.980	N2B—C6B	1.448 (9)
C13'—H13D	0.980	N2B—HN2B	0.880
C13'—H13E	0.980	C1B—C2B	1.353 (12)
C13'—H13F	0.980	C1B—C2B'	1.387 (11)
C14'—C17'	1.506 (11)	C2B—C3B	1.355 (11)
C14'—H14D	0.980	C2B—H2B	0.950
C14'—H14E	0.980	C2B'—C3B'	1.385 (11)
C14'—H14F	0.980	C2B'—H2B'	0.950
C15'—C17'	1.531 (11)	C3B—C4B	1.380 (10)
C15'—H15D	0.980	C3B—H3B	0.950
C15'—H15E	0.980	C3B'—C4B	1.386 (11)
C15'—H15F	0.980	C3B'—H3B'	0.950
C16'—C17'	1.520 (11)	C4B—C5B	1.519 (10)
C16'—H16D	0.980	C5B—C6B	1.513 (10)
C16'—H16E	0.980	C5B—H5B	1.000
C16'—H16F	0.980	C6B—C7B	1.518 (10)
Si2A—O3A	1.656 (6)	C6B—H6B	1.000
Si2A—C18A	1.825 (8)	C7B—H7C	0.990
Si2A—C19A	1.858 (8)	C7B—H7D	0.990
Si2A—C23A	1.878 (8)	C8B—C9B	1.501 (11)
O1A—N1A	1.199 (11)	C9B—C10B	1.526 (10)
O2A—N1A	1.232 (11)	C9B—H9C	0.990
O3A—C5A	1.401 (9)	C9B—H9D	0.990
O4A—C7A	1.398 (9)	C10B—C11B	1.516 (11)
O5A—C8A	1.245 (10)	C10B—H10C	0.990
O6A—C11A	1.430 (8)	C10B—H10D	0.990
O6A—H6OA	0.840	C11B—H11C	0.990
N1A—C1A	1.496 (12)	C11B—H11D	0.990
N2A—C8A	1.324 (10)	C12B—H12G	0.980
N2A—C6A	1.451 (9)	C12B—H12H	0.980
N2A—HN2A	0.880	C12B—H12I	0.980
C1A—C2A'	1.366 (12)	C13B—H13G	0.980
C1A—C2A	1.401 (13)	C13B—H13H	0.980
C2A—C3A	1.353 (12)	C13B—H13I	0.980
C2A—H2A	0.950	C14B—C17B	1.514 (8)
C2A'—C3A'	1.351 (12)	C14B—H14G	0.980
C2A'—H2A'	0.950	C14B—H14H	0.980
C3A—C4A	1.385 (11)	C14B—H14I	0.980
C3A—H3A	0.950	C15B—C17B	1.532 (8)
C3A'—C4A	1.380 (11)	C15B—H15G	0.980
C3A'—H3A'	0.950	C15B—H15H	0.980
C4A—C5A	1.529 (11)	C15B—H15I	0.980
C5A—C6A	1.536 (11)	C16B—C17B	1.535 (8)
C5A—H5A	1.000	C16B—H16G	0.980
C6A—C7A	1.482 (11)	C16B—H16H	0.980
C6A—H6A	1.000	C16B—H16I	0.980
C7A—H7A	0.990	C18B—H18D	0.980
C7A—H7B	0.990	C18B—H18E	0.980
C8A—C9A	1.512 (11)	C18B—H18F	0.980
C9A—C10A	1.545 (11)	C19B—H19D	0.980
C9A—H9A	0.990	C19B—H19E	0.980
C9A—H9B	0.990	C19B—H19F	0.980
C10A—C11A	1.498 (11)	C20B—C23B	1.525 (8)
C10A—H10A	0.990	C20B—H20D	0.980
C10A—H10B	0.990	C20B—H20E	0.980
C11A—H11A	0.990	C20B—H20F	0.980
C11A—H11B	0.990	C21B—C23B	1.533 (8)
C18A—H18A	0.980	C21B—H21D	0.980
C18A—H18B	0.980	C21B—H21E	0.980
C18A—H18C	0.980	C21B—H21F	0.980
C19A—H19A	0.980	C22B—C23B	1.524 (8)
C19A—H19B	0.980	C22B—H22D	0.980
C19A—H19C	0.980	C22B—H22E	0.980
C20A—C23A	1.545 (9)	C22B—H22F	0.980
O4A—Si1A—C17A	104.8 (6)	C23A—C20A—H20C	109.5
O4A—Si1A—C13A	107.5 (8)	H20A—C20A—H20C	109.5
C17A—Si1A—C13A	112.8 (8)	H20B—C20A—H20C	109.5
O4A—Si1A—C12A	109.4 (7)	C23A—C21A—H21A	109.5
C17A—Si1A—C12A	114.9 (8)	C23A—C21A—H21B	109.5
C13A—Si1A—C12A	107.1 (6)	H21A—C21A—H21B	109.5
Si1A—C12A—H12A	109.5	C23A—C21A—H21C	109.5
Si1A—C12A—H12B	109.5	H21A—C21A—H21C	109.5
H12A—C12A—H12B	109.5	H21B—C21A—H21C	109.5
Si1A—C12A—H12C	109.5	C23A—C22A—H22A	109.5
H12A—C12A—H12C	109.5	C23A—C22A—H22B	109.5
H12B—C12A—H12C	109.5	H22A—C22A—H22B	109.5
Si1A—C13A—H13A	109.5	C23A—C22A—H22C	109.5
Si1A—C13A—H13B	109.5	H22A—C22A—H22C	109.5
H13A—C13A—H13B	109.5	H22B—C22A—H22C	109.5
Si1A—C13A—H13C	109.5	C22A—C23A—C21A	112.0 (7)
H13A—C13A—H13C	109.5	C22A—C23A—C20A	106.7 (7)
H13B—C13A—H13C	109.5	C21A—C23A—C20A	109.0 (7)
C17A—C14A—H14A	109.5	C22A—C23A—Si2A	110.8 (7)
C17A—C14A—H14B	109.5	C21A—C23A—Si2A	109.3 (7)
H14A—C14A—H14B	109.5	C20A—C23A—Si2A	108.8 (6)
C17A—C14A—H14C	109.5	O4B—Si1B—C13B	110.9 (4)
H14A—C14A—H14C	109.5	O4B—Si1B—C17B	105.7 (3)
H14B—C14A—H14C	109.5	C13B—Si1B—C17B	111.7 (4)
C17A—C15A—H15A	109.5	O4B—Si1B—C12B	108.5 (4)
C17A—C15A—H15B	109.5	C13B—Si1B—C12B	109.2 (5)
H15A—C15A—H15B	109.5	C17B—Si1B—C12B	110.7 (4)
C17A—C15A—H15C	109.5	O3B—Si2B—C19B	110.0 (3)
H15A—C15A—H15C	109.5	O3B—Si2B—C18B	105.8 (3)
H15B—C15A—H15C	109.5	C19B—Si2B—C18B	110.0 (4)
C17A—C16A—H16A	109.5	O3B—Si2B—C23B	109.7 (3)
C17A—C16A—H16B	109.5	C19B—Si2B—C23B	111.9 (4)
H16A—C16A—H16B	109.5	C18B—Si2B—C23B	109.2 (4)
C17A—C16A—H16C	109.5	C5B—O3B—Si2B	125.3 (4)
H16A—C16A—H16C	109.5	C7B—O4B—Si1B	124.2 (5)
H16B—C16A—H16C	109.5	C11B—O6B—H6OB	109.5
C16A—C17A—C14A	109.1 (9)	O1B—N1B—O2B	124.3 (9)
C16A—C17A—C15A	108.1 (8)	O1B—N1B—C1B	117.9 (9)
C14A—C17A—C15A	107.3 (8)	O2B—N1B—C1B	117.8 (9)
C16A—C17A—Si1A	114.1 (14)	C8B—N2B—C6B	122.9 (6)
C14A—C17A—Si1A	111.2 (11)	C8B—N2B—HN2B	118.6
C15A—C17A—Si1A	106.7 (10)	C6B—N2B—HN2B	118.6
O4A—Si1'—C12'	114.1 (9)	C2B—C1B—C2B'	122.1 (8)
O4A—Si1'—C17'	106.9 (8)	C2B—C1B—N1B	120.4 (9)
C12'—Si1'—C17'	124.6 (11)	C2B'—C1B—N1B	117.5 (9)
O4A—Si1'—C13'	104.4 (10)	C1B—C2B—C3B	118.9 (8)
C12'—Si1'—C13'	108.4 (7)	C1B—C2B—H2B	120.5
C17'—Si1'—C13'	95.1 (11)	C3B—C2B—H2B	120.5
Si1'—C12'—H12D	109.5	C3B'—C2B'—C1B	118.1 (8)
Si1'—C12'—H12E	109.5	C3B'—C2B'—H2B'	121.0
H12D—C12'—H12E	109.5	C1B—C2B'—H2B'	121.0
Si1'—C12'—H12F	109.5	C2B—C3B—C4B	121.9 (8)
H12D—C12'—H12F	109.5	C2B—C3B—H3B	119.0
H12E—C12'—H12F	109.5	C4B—C3B—H3B	119.0
Si1'—C13'—H13D	109.5	C2B'—C3B'—C4B	120.3 (7)
Si1'—C13'—H13E	109.5	C2B'—C3B'—H3B'	119.8
H13D—C13'—H13E	109.5	C4B—C3B'—H3B'	119.8
Si1'—C13'—H13F	109.5	C3B—C4B—C3B'	118.5 (8)
H13D—C13'—H13F	109.5	C3B—C4B—C5B	120.6 (8)
H13E—C13'—H13F	109.5	C3B'—C4B—C5B	120.9 (7)
C17'—C14'—H14D	109.5	O3B—C5B—C6B	109.6 (6)
C17'—C14'—H14E	109.5	O3B—C5B—C4B	110.5 (6)
H14D—C14'—H14E	109.5	C6B—C5B—C4B	113.6 (6)
C17'—C14'—H14F	109.5	O3B—C5B—H5B	107.6
H14D—C14'—H14F	109.5	C6B—C5B—H5B	107.6
H14E—C14'—H14F	109.5	C4B—C5B—H5B	107.6
C17'—C15'—H15D	109.5	N2B—C6B—C5B	112.2 (6)
C17'—C15'—H15E	109.5	N2B—C6B—C7B	109.4 (6)
H15D—C15'—H15E	109.5	C5B—C6B—C7B	111.4 (6)
C17'—C15'—H15F	109.5	N2B—C6B—H6B	107.9
H15D—C15'—H15F	109.5	C5B—C6B—H6B	107.9
H15E—C15'—H15F	109.5	C7B—C6B—H6B	107.9
C17'—C16'—H16D	109.5	O4B—C7B—C6B	110.0 (6)
C17'—C16'—H16E	109.5	O4B—C7B—H7C	109.7
H16D—C16'—H16E	109.5	C6B—C7B—H7C	109.7
C17'—C16'—H16F	109.5	O4B—C7B—H7D	109.7
H16D—C16'—H16F	109.5	C6B—C7B—H7D	109.7
H16E—C16'—H16F	109.5	H7C—C7B—H7D	108.2
C14'—C17'—C16'	110.3 (9)	O5B—C8B—N2B	120.2 (7)
C14'—C17'—C15'	110.1 (9)	O5B—C8B—C9B	123.5 (7)
C16'—C17'—C15'	109.5 (10)	N2B—C8B—C9B	116.3 (7)
C14'—C17'—Si1'	118.1 (15)	C8B—C9B—C10B	112.4 (6)
C16'—C17'—Si1'	107.4 (16)	C8B—C9B—H9C	109.1
C15'—C17'—Si1'	100.9 (17)	C10B—C9B—H9C	109.1
O3A—Si2A—C18A	110.0 (5)	C8B—C9B—H9D	109.1
O3A—Si2A—C19A	111.2 (5)	C10B—C9B—H9D	109.1
C18A—Si2A—C19A	112.7 (6)	H9C—C9B—H9D	107.9
O3A—Si2A—C23A	104.8 (4)	C11B—C10B—C9B	113.2 (7)
C18A—Si2A—C23A	111.1 (6)	C11B—C10B—H10C	108.9
C19A—Si2A—C23A	106.6 (7)	C9B—C10B—H10C	108.9
C5A—O3A—Si2A	126.6 (5)	C11B—C10B—H10D	108.9
C7A—O4A—Si1A	128.0 (6)	C9B—C10B—H10D	108.9
C7A—O4A—Si1'	125.0 (6)	H10C—C10B—H10D	107.8
C11A—O6A—H6OA	109.5	O6B—C11B—C10B	110.9 (6)
O1A—N1A—O2A	125.1 (11)	O6B—C11B—H11C	109.5
O1A—N1A—C1A	119.5 (11)	C10B—C11B—H11C	109.5
O2A—N1A—C1A	115.3 (11)	O6B—C11B—H11D	109.5
C8A—N2A—C6A	123.2 (7)	C10B—C11B—H11D	109.5
C8A—N2A—HN2A	118.4	H11C—C11B—H11D	108.0
C6A—N2A—HN2A	118.4	Si1B—C12B—H12G	109.5
C2A'—C1A—C2A	121.5 (9)	Si1B—C12B—H12H	109.5
C2A'—C1A—N1A	120.6 (11)	H12G—C12B—H12H	109.5
C2A—C1A—N1A	117.9 (10)	Si1B—C12B—H12I	109.5
C3A—C2A—C1A	117.0 (9)	H12G—C12B—H12I	109.5
C3A—C2A—H2A	121.5	H12H—C12B—H12I	109.5
C1A—C2A—H2A	121.5	Si1B—C13B—H13G	109.5
C3A'—C2A'—C1A	119.9 (9)	Si1B—C13B—H13H	109.5
C3A'—C2A'—H2A'	120.1	H13G—C13B—H13H	109.5
C1A—C2A'—H2A'	120.1	Si1B—C13B—H13I	109.5
C2A—C3A—C4A	122.5 (9)	H13G—C13B—H13I	109.5
C2A—C3A—H3A	118.8	H13H—C13B—H13I	109.5
C4A—C3A—H3A	118.8	C17B—C14B—H14G	109.5
C2A'—C3A'—C4A	120.6 (9)	C17B—C14B—H14H	109.5
C2A'—C3A'—H3A'	119.7	H14G—C14B—H14H	109.5
C4A—C3A'—H3A'	119.7	C17B—C14B—H14I	109.5
C3A'—C4A—C3A	118.5 (9)	H14G—C14B—H14I	109.5
C3A'—C4A—C5A	121.5 (8)	H14H—C14B—H14I	109.5
C3A—C4A—C5A	119.9 (8)	C17B—C15B—H15G	109.5
O3A—C5A—C4A	110.4 (7)	C17B—C15B—H15H	109.5
O3A—C5A—C6A	107.7 (6)	H15G—C15B—H15H	109.5
C4A—C5A—C6A	110.4 (6)	C17B—C15B—H15I	109.5
O3A—C5A—H5A	109.4	H15G—C15B—H15I	109.5
C4A—C5A—H5A	109.4	H15H—C15B—H15I	109.5
C6A—C5A—H5A	109.4	C17B—C16B—H16G	109.5
N2A—C6A—C7A	111.0 (6)	C17B—C16B—H16H	109.5
N2A—C6A—C5A	109.6 (6)	H16G—C16B—H16H	109.5
C7A—C6A—C5A	111.1 (7)	C17B—C16B—H16I	109.5
N2A—C6A—H6A	108.3	H16G—C16B—H16I	109.5
C7A—C6A—H6A	108.3	H16H—C16B—H16I	109.5
C5A—C6A—H6A	108.3	C14B—C17B—C15B	109.2 (6)
O4A—C7A—C6A	110.1 (7)	C14B—C17B—C16B	109.5 (6)
O4A—C7A—H7A	109.6	C15B—C17B—C16B	108.3 (6)
C6A—C7A—H7A	109.6	C14B—C17B—Si1B	110.8 (5)
O4A—C7A—H7B	109.6	C15B—C17B—Si1B	109.0 (5)
C6A—C7A—H7B	109.6	C16B—C17B—Si1B	110.0 (6)
H7A—C7A—H7B	108.2	Si2B—C18B—H18D	109.5
O5A—C8A—N2A	121.5 (8)	Si2B—C18B—H18E	109.5
O5A—C8A—C9A	122.5 (8)	H18D—C18B—H18E	109.5
N2A—C8A—C9A	115.9 (8)	Si2B—C18B—H18F	109.5
C8A—C9A—C10A	109.3 (6)	H18D—C18B—H18F	109.5
C8A—C9A—H9A	109.8	H18E—C18B—H18F	109.5
C10A—C9A—H9A	109.8	Si2B—C19B—H19D	109.5
C8A—C9A—H9B	109.8	Si2B—C19B—H19E	109.5
C10A—C9A—H9B	109.8	H19D—C19B—H19E	109.5
H9A—C9A—H9B	108.3	Si2B—C19B—H19F	109.5
C11A—C10A—C9A	112.9 (6)	H19D—C19B—H19F	109.5
C11A—C10A—H10A	109.0	H19E—C19B—H19F	109.5
C9A—C10A—H10A	109.0	C23B—C20B—H20D	109.5
C11A—C10A—H10B	109.0	C23B—C20B—H20E	109.5
C9A—C10A—H10B	109.0	H20D—C20B—H20E	109.5
H10A—C10A—H10B	107.8	C23B—C20B—H20F	109.5
O6A—C11A—C10A	111.3 (7)	H20D—C20B—H20F	109.5
O6A—C11A—H11A	109.4	H20E—C20B—H20F	109.5
C10A—C11A—H11A	109.4	C23B—C21B—H21D	109.5
O6A—C11A—H11B	109.4	C23B—C21B—H21E	109.5
C10A—C11A—H11B	109.4	H21D—C21B—H21E	109.5
H11A—C11A—H11B	108.0	C23B—C21B—H21F	109.5
Si2A—C18A—H18A	109.5	H21D—C21B—H21F	109.5
Si2A—C18A—H18B	109.5	H21E—C21B—H21F	109.5
H18A—C18A—H18B	109.5	C23B—C22B—H22D	109.5
Si2A—C18A—H18C	109.5	C23B—C22B—H22E	109.5
H18A—C18A—H18C	109.5	H22D—C22B—H22E	109.5
H18B—C18A—H18C	109.5	C23B—C22B—H22F	109.5
Si2A—C19A—H19A	109.5	H22D—C22B—H22F	109.5
Si2A—C19A—H19B	109.5	H22E—C22B—H22F	109.5
H19A—C19A—H19B	109.5	C22B—C23B—C20B	109.3 (6)
Si2A—C19A—H19C	109.5	C22B—C23B—C21B	108.7 (6)
H19A—C19A—H19C	109.5	C20B—C23B—C21B	109.7 (6)
H19B—C19A—H19C	109.5	C22B—C23B—Si2B	109.4 (5)
C23A—C20A—H20A	109.5	C20B—C23B—Si2B	109.7 (6)
C23A—C20A—H20B	109.5	C21B—C23B—Si2B	109.9 (6)
H20A—C20A—H20B	109.5
O4A—Si1A—C17A—C16A	170.9 (9)	O3A—Si2A—C23A—C22A	−52.3 (7)
C13A—Si1A—C17A—C16A	−72.4 (12)	C18A—Si2A—C23A—C22A	−171.1 (8)
C12A—Si1A—C17A—C16A	50.8 (12)	C19A—Si2A—C23A—C22A	65.7 (8)
O4A—Si1A—C17A—C14A	47.0 (10)	O3A—Si2A—C23A—C21A	−176.3 (6)
C13A—Si1A—C17A—C14A	163.7 (11)	C18A—Si2A—C23A—C21A	64.9 (8)
C12A—Si1A—C17A—C14A	−73.1 (12)	C19A—Si2A—C23A—C21A	−58.2 (8)
O4A—Si1A—C17A—C15A	−69.7 (10)	O3A—Si2A—C23A—C20A	64.8 (6)
C13A—Si1A—C17A—C15A	47.0 (12)	C18A—Si2A—C23A—C20A	−54.0 (8)
C12A—Si1A—C17A—C15A	170.2 (10)	C19A—Si2A—C23A—C20A	−177.2 (7)
O4A—Si1'—C17'—C14'	−52.3 (15)	C19B—Si2B—O3B—C5B	−16.3 (7)
C12'—Si1'—C17'—C14'	171.1 (14)	C18B—Si2B—O3B—C5B	−135.1 (6)
C13'—Si1'—C17'—C14'	54.5 (15)	C23B—Si2B—O3B—C5B	107.2 (6)
O4A—Si1'—C17'—C16'	−177.7 (12)	C13B—Si1B—O4B—C7B	57.3 (7)
C12'—Si1'—C17'—C16'	45.7 (17)	C17B—Si1B—O4B—C7B	178.5 (6)
C13'—Si1'—C17'—C16'	−70.9 (15)	C12B—Si1B—O4B—C7B	−62.7 (7)
O4A—Si1'—C17'—C15'	67.7 (13)	O1B—N1B—C1B—C2B	−14.7 (13)
C12'—Si1'—C17'—C15'	−68.9 (16)	O2B—N1B—C1B—C2B	166.9 (9)
C13'—Si1'—C17'—C15'	174.5 (14)	O1B—N1B—C1B—C2B'	165.1 (8)
C18A—Si2A—O3A—C5A	−65.7 (8)	O2B—N1B—C1B—C2B'	−13.4 (12)
C19A—Si2A—O3A—C5A	59.9 (9)	C2B'—C1B—C2B—C3B	3.3 (13)
C23A—Si2A—O3A—C5A	174.7 (6)	N1B—C1B—C2B—C3B	−177.0 (7)
C17A—Si1A—O4A—C7A	−160.4 (8)	C2B—C1B—C2B'—C3B'	−0.5 (13)
C13A—Si1A—O4A—C7A	79.3 (10)	N1B—C1B—C2B'—C3B'	179.8 (7)
C12A—Si1A—O4A—C7A	−36.6 (11)	C1B—C2B—C3B—C4B	−3.0 (12)
C17A—Si1A—O4A—Si1'	−65.4 (10)	C1B—C2B'—C3B'—C4B	−2.8 (12)
C13A—Si1A—O4A—Si1'	174.4 (12)	C2B—C3B—C4B—C3B'	−0.2 (11)
C12A—Si1A—O4A—Si1'	58.4 (11)	C2B—C3B—C4B—C5B	−179.5 (7)
C12'—Si1'—O4A—C7A	−54.7 (12)	C2B'—C3B'—C4B—C3B	3.1 (11)
C17'—Si1'—O4A—C7A	163.5 (10)	C2B'—C3B'—C4B—C5B	−177.5 (7)
C13'—Si1'—O4A—C7A	63.5 (11)	Si2B—O3B—C5B—C6B	−153.5 (5)
C12'—Si1'—O4A—Si1A	−161.4 (15)	Si2B—O3B—C5B—C4B	80.5 (7)
C17'—Si1'—O4A—Si1A	56.9 (9)	C3B—C4B—C5B—O3B	−148.5 (6)
C13'—Si1'—O4A—Si1A	−43.2 (11)	C3B'—C4B—C5B—O3B	32.2 (9)
O1A—N1A—C1A—C2A'	−177.3 (9)	C3B—C4B—C5B—C6B	87.9 (8)
O2A—N1A—C1A—C2A'	4.2 (12)	C3B'—C4B—C5B—C6B	−91.4 (8)
O1A—N1A—C1A—C2A	3.1 (12)	C8B—N2B—C6B—C5B	−154.2 (6)
O2A—N1A—C1A—C2A	−175.4 (8)	C8B—N2B—C6B—C7B	81.7 (8)
C2A'—C1A—C2A—C3A	0.2 (12)	O3B—C5B—C6B—N2B	−59.4 (8)
N1A—C1A—C2A—C3A	179.8 (8)	C4B—C5B—C6B—N2B	64.7 (8)
C2A—C1A—C2A'—C3A'	−1.4 (13)	O3B—C5B—C6B—C7B	63.6 (8)
N1A—C1A—C2A'—C3A'	179.1 (8)	C4B—C5B—C6B—C7B	−172.3 (6)
C1A—C2A—C3A—C4A	1.7 (12)	Si1B—O4B—C7B—C6B	112.9 (7)
C1A—C2A'—C3A'—C4A	0.7 (13)	N2B—C6B—C7B—O4B	−176.8 (6)
C2A'—C3A'—C4A—C3A	1.2 (11)	C5B—C6B—C7B—O4B	58.7 (9)
C2A'—C3A'—C4A—C5A	177.6 (7)	C6B—N2B—C8B—O5B	−0.4 (10)
C2A—C3A—C4A—C3A'	−2.4 (12)	C6B—N2B—C8B—C9B	179.7 (6)
C2A—C3A—C4A—C5A	−178.9 (7)	O5B—C8B—C9B—C10B	92.5 (9)
Si2A—O3A—C5A—C4A	105.4 (7)	N2B—C8B—C9B—C10B	−87.6 (8)
Si2A—O3A—C5A—C6A	−133.9 (6)	C8B—C9B—C10B—C11B	167.3 (7)
C3A'—C4A—C5A—O3A	20.8 (10)	C9B—C10B—C11B—O6B	−65.4 (9)
C3A—C4A—C5A—O3A	−162.9 (7)	O4B—Si1B—C17B—C14B	50.8 (6)
C3A'—C4A—C5A—C6A	−98.2 (8)	C13B—Si1B—C17B—C14B	171.5 (7)
C3A—C4A—C5A—C6A	78.2 (9)	C12B—Si1B—C17B—C14B	−66.5 (7)
C8A—N2A—C6A—C7A	92.0 (9)	O4B—Si1B—C17B—C15B	−69.4 (6)
C8A—N2A—C6A—C5A	−144.8 (7)	C13B—Si1B—C17B—C15B	51.3 (7)
O3A—C5A—C6A—N2A	−59.0 (8)	C12B—Si1B—C17B—C15B	173.3 (6)
C4A—C5A—C6A—N2A	61.7 (9)	O4B—Si1B—C17B—C16B	172.0 (5)
O3A—C5A—C6A—C7A	64.1 (8)	C13B—Si1B—C17B—C16B	−67.3 (7)
C4A—C5A—C6A—C7A	−175.2 (7)	C12B—Si1B—C17B—C16B	54.7 (7)
Si1A—O4A—C7A—C6A	155.6 (7)	O3B—Si2B—C23B—C22B	51.8 (6)
Si1'—O4A—C7A—C6A	119.9 (8)	C19B—Si2B—C23B—C22B	174.2 (6)
N2A—C6A—C7A—O4A	−178.5 (7)	C18B—Si2B—C23B—C22B	−63.7 (6)
C5A—C6A—C7A—O4A	59.2 (9)	O3B—Si2B—C23B—C20B	171.8 (5)
C6A—N2A—C8A—O5A	−3.9 (12)	C19B—Si2B—C23B—C20B	−65.8 (7)
C6A—N2A—C8A—C9A	173.7 (7)	C18B—Si2B—C23B—C20B	56.3 (6)
O5A—C8A—C9A—C10A	96.4 (9)	O3B—Si2B—C23B—C21B	−67.5 (6)
N2A—C8A—C9A—C10A	−81.3 (9)	C19B—Si2B—C23B—C21B	54.9 (7)
C8A—C9A—C10A—C11A	170.0 (7)	C18B—Si2B—C23B—C21B	177.0 (6)
C9A—C10A—C11A—O6A	65.9 (9)