(1R,2R)-1,3-Bis(tert-butyldimethylsilyloxy)-2-(4-hydroxybutanamido)-1-(4-nitrophenyl)propane
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804009870/lh6210sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804009870/lh6210Isup2.hkl |
CCDC reference: 239299
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.
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) Å3 | Needle, colourless |
Z = 4 | 0.50 × 0.10 × 0.10 mm |
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 on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.056 | H-atom parameters constrained |
wR(F2) = 0.148 | w = 1/[σ2(Fo2) + (0.0794P)2 + 0.6178P] where P = (Fo2 + 2Fc2)/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 |
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. |
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) |
U11 | U22 | U33 | U12 | U13 | U23 | |
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) |
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) |