Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805004745/bt6604sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805004745/bt66043sup2.hkl |
CCDC reference: 269378
Key indicators
- Single-crystal X-ray study
- T = 143 K
- Mean (C-C) = 0.003 Å
- R factor = 0.051
- wR factor = 0.139
- Data-to-parameter ratio = 16.2
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT049_ALERT_1_B Calculated Density less than 1.0 gcm-3 ......... 0.97 PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.60 Ratio PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for Si
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.47 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C13 PLAT301_ALERT_3_C Main Residue Disorder ......................... 13.00 Perc. PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C6 - C7 ... 1.42 Ang.
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: DIF4 (Stoe & Cie, 1992); cell refinement: DIF4; data reduction: REDU4 (Stoe & Cie, 1992); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP (Siemens, 1994); software used to prepare material for publication: SHELXL97.
C19H30Si | F(000) = 632 |
Mr = 286.52 | Dx = 0.968 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 9.966 (2) Å | Cell parameters from 60 reflections |
b = 12.079 (2) Å | θ = 10–11.5° |
c = 16.345 (2) Å | µ = 0.11 mm−1 |
β = 92.42 (2)° | T = 143 K |
V = 1965.8 (6) Å3 | Prism, red |
Z = 4 | 0.6 × 0.3 × 0.3 mm |
Stoe STADI-4 diffractometer | Rint = 0.030 |
Radiation source: fine-focus sealed tube | θmax = 25.0°, θmin = 3.0° |
Graphite monochromator | h = −11→0 |
ω–θ scans | k = −14→0 |
3599 measured reflections | l = −19→19 |
3395 independent reflections | 3 standard reflections every 60 min |
2628 reflections with I > 2σ(I) | intensity decay: none |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.051 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.139 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0653P)2 + 0.5585P] where P = (Fo2 + 2Fc2)/3 |
3395 reflections | (Δ/σ)max = 0.002 |
209 parameters | Δρmax = 0.15 e Å−3 |
205 restraints | Δρmin = −0.23 e Å−3 |
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. Final RES file: TITL nudel in P2(1)/n CELL 0.71073 9.966 12.079 16.345 90.00 92.42 90.00 ZERR 4.00 0.002 0.002 0.002 0.00 0.02 0.00 SYMM. 5-X,. 5+Y,. 5-Z SFAC C H SI UNIT 76 120 4 TEMP -130 SIZE. 6. 3. 3 L·S. 6 FMAP 2 PLAN 5 DELU SIMU ACTA 50 CONF BOND $H SIMU 0.02 0.04 0.7 MPLA c1 c2 c3 c4 c5 c6 c7 c8 c9 c13 10 si WGHT 0.065300 0.558500 FVAR 0.23727 0.54245 C1 1 0.739234 0.148162 0.191553 11.00000 0.03048 0.03042 = 0.03908 0.00031 0.00018 0.00075 C2 1 0.799096 0.114270 0.262505 11.00000 0.03496 0.03652 = 0.04319 0.00140 - 0.00225 0.00880 AFIX 43 H2 2 0.871509 0.063144 0.266537 11.00000 - 1.20000 AFIX 0 C3 1 0.737601 0.166865 0.333176 11.00000 0.03719 0.03336 = 0.03587 - 0.00123 - 0.00544 - 0.00021 C4 1 0.639279 0.233493 0.303558 11.00000 0.03320 0.03074 = 0.03705 - 0.00365 - 0.00082 0.00148 AFIX 43 H4 2 0.582954 0.277907 0.335626 11.00000 - 1.20000 AFIX 0 C5 1 0.632602 0.226966 0.214783 11.00000 0.03020 0.02840 = 0.03784 0.00151 - 0.00224 - 0.00040 C6 1 0.545170 0.281544 0.164217 11.00000 0.03586 0.03959 = 0.03622 0.00141 - 0.00100 0.00352 AFIX 43 H6 2 0.551933 0.270181 0.107027 11.00000 - 1.20000 AFIX 0 C7 1 0.443450 0.354925 0.189968 11.00000 0.03537 0.04356 = 0.03727 0.00397 - 0.00651 0.00337 C8 1 0.353390 0.416450 0.206619 11.00000 0.03791 0.05367 = 0.04218 0.00481 - 0.00265 0.01035 C9 1 0.769968 0.111363 0.105808 11.00000 0.04252 0.03926 = 0.03833 0.00077 0.00614 0.00656 C10 1 0.887635 0.030580 0.109572 11.00000 0.07656 0.07201 = 0.05696 - 0.00038 0.01686 0.03582 AFIX 33 H10A 2 0.907313 0.006863 0.054007 11.00000 - 1.20000 H10B 2 0.864402 - 0.034122 0.142265 11.00000 - 1.20000 H10C 2 0.966816 0.067078 0.134863 11.00000 - 1.20000 AFIX 0 C11 1 0.648442 0.050615 0.066179 11.00000 0.06839 0.06189 = 0.04909 - 0.01842 0.01110 - 0.01256 AFIX 33 H11A 2 0.669363 0.027139 0.010758 11.00000 - 1.20000 H11B 2 0.570778 0.100443 0.063401 11.00000 - 1.20000 H11C 2 0.627635 - 0.014501 0.099088 11.00000 - 1.20000 AFIX 0 C12 1 0.809067 0.209363 0.051916 11.00000 0.05733 0.05571 = 0.04791 0.00410 0.01431 - 0.00165 AFIX 33 H12A 2 0.828192 0.182477 - 0.002949 11.00000 - 1.20000 H12B 2 0.889151 0.245609 0.076278 11.00000 - 1.20000 H12C 2 0.734810 0.262545 0.048023 11.00000 - 1.20000 AFIX 0 C13 1 0.782712 0.144453 0.420718 11.00000 0.05243 0.04792 = 0.03749 - 0.00096 - 0.00894 0.00712 C14 1 0.932114 0.171793 0.431674 11.00000 0.06301 0.14751 = 0.06364 - 0.00786 - 0.02933 - 0.00166 AFIX 33 H14A 2 0.962491 0.157461 0.488494 11.00000 - 1.20000 H14B 2 0.946468 0.250000 0.418696 11.00000 - 1.20000 H14C 2 0.983187 0.125451 0.394859 11.00000 - 1.20000 AFIX 0 C15 1 0.763518 0.021463 0.438829 11.00000 0.12811 0.05338 = 0.04892 0.01099 - 0.00997 0.01851 AFIX 33 H15A 2 0.792645 0.006100 0.495714 11.00000 - 1.20000 H15B 2 0.817157 - 0.022649 0.401942 11.00000 - 1.20000 H15C 2 0.668445 0.002078 0.430445 11.00000 - 1.20000 AFIX 0 C16 1 0.704424 0.212797 0.480188 11.00000 0.09643 0.06947 = 0.03529 - 0.00167 - 0.00484 0.02440 AFIX 33 H16A 2 0.736353 0.196127 0.536371 11.00000 - 1.20000 H16B 2 0.608705 0.194758 0.473599 11.00000 - 1.20000 H16C 2 0.717616 0.291678 0.469031 11.00000 - 1.20000 AFIX 0 SAME SI C17A C18A C19A SAME SI C18 C19 C17 SAME SI C19 C18 C17 SI 3 0.211389 0.506228 0.231288 11.00000 0.03953 0.06550 = 0.04437 0.00125 0.00220 0.01892 PART 1 C17 1 0.208308 0.515344 0.341699 21.00000 0.05484 0.17993 = 0.05096 - 0.00870 0.01452 0.01747 AFIX 33 H17D 2 0.133568 0.562782 0.356889 21.00000 - 1.20000 H17E 2 0.293100 0.547004 0.363358 21.00000 - 1.20000 H17F 2 0.196586 0.441185 0.364643 21.00000 - 1.20000 AFIX 0 C18 1 0.057916 0.437755 0.190419 21.00000 0.04566 0.11104 = 0.12174 - 0.04087 - 0.01427 0.02258 AFIX 33 H18D 2 0.060514 0.432711 0.130665 21.00000 - 1.20000 H18E 2 - 0.020767 0.480886 0.205170 21.00000 - 1.20000 H18F 2 0.052232 0.363189 0.213647 21.00000 - 1.20000 AFIX 0 C19 1 0.238172 0.637959 0.179231 21.00000 0.09284 0.06327 = 0.12604 0.01224 0.05410 0.04273 AFIX 33 H19D 2 0.238206 0.625598 0.119974 21.00000 - 1.20000 H19E 2 0.324726 0.669313 0.198128 21.00000 - 1.20000 H19F 2 0.165933 0.689538 0.191702 21.00000 - 1.20000 AFIX 0 PART 2 C17A 1 0.244419 0.573034 0.333042 - 21.00000 0.05615 0.10998 = 0.06852 - 0.01965 0.00440 0.04222 AFIX 33 H17A 2 0.255527 0.515796 0.375278 - 21.00000 - 1.20000 H17B 2 0.168574 0.620859 0.345614 - 21.00000 - 1.20000 H17C 2 0.326510 0.617546 0.331692 - 21.00000 - 1.20000 AFIX 0 C18A 1 0.057385 0.423594 0.235736 - 21.00000 0.04674 0.11169 = 0.15196 - 0.01774 0.01318 0.01214 AFIX 33 H18A 2 0.068710 0.367511 0.278800 - 21.00000 - 1.20000 H18B 2 0.039257 0.387071 0.182882 - 21.00000 - 1.20000 H18C 2 - 0.018068 0.472065 0.247901 - 21.00000 - 1.20000 AFIX 0 C19A 1 0.189564 0.614603 0.153364 - 21.00000 0.10521 0.15117 = 0.09375 0.06424 0.04406 0.08851 AFIX 33 H19A 2 0.272384 0.658029 0.151078 - 21.00000 - 1.20000 H19B 2 0.115332 0.663262 0.167480 - 21.00000 - 1.20000 H19C 2 0.169308 0.580460 0.099871 - 21.00000 - 1.20000 PART 0 HKLF 4 |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
C1 | 0.73923 (18) | 0.14816 (15) | 0.19155 (11) | 0.0334 (4) | |
C2 | 0.79910 (19) | 0.11427 (16) | 0.26251 (12) | 0.0383 (5) | |
H2 | 0.8715 | 0.0631 | 0.2665 | 0.046* | |
C3 | 0.73760 (19) | 0.16686 (15) | 0.33318 (11) | 0.0357 (4) | |
C4 | 0.63928 (18) | 0.23349 (15) | 0.30356 (11) | 0.0337 (4) | |
H4 | 0.5830 | 0.2779 | 0.3356 | 0.040* | |
C5 | 0.63260 (17) | 0.22697 (14) | 0.21478 (11) | 0.0323 (4) | |
C6 | 0.54517 (19) | 0.28154 (16) | 0.16422 (12) | 0.0373 (4) | |
H6 | 0.5519 | 0.2702 | 0.1070 | 0.045* | |
C7 | 0.44345 (19) | 0.35492 (17) | 0.18997 (12) | 0.0390 (5) | |
C8 | 0.3534 (2) | 0.41645 (18) | 0.20662 (12) | 0.0447 (5) | |
C9 | 0.7700 (2) | 0.11136 (16) | 0.10581 (12) | 0.0399 (5) | |
C10 | 0.8876 (3) | 0.0306 (2) | 0.10957 (16) | 0.0681 (8) | |
H10A | 0.9073 | 0.0069 | 0.0540 | 0.082* | |
H10B | 0.8644 | −0.0341 | 0.1423 | 0.082* | |
H10C | 0.9668 | 0.0671 | 0.1349 | 0.082* | |
C11 | 0.6484 (2) | 0.0506 (2) | 0.06618 (15) | 0.0595 (6) | |
H11A | 0.6694 | 0.0271 | 0.0108 | 0.071* | |
H11B | 0.5708 | 0.1004 | 0.0634 | 0.071* | |
H11C | 0.6276 | −0.0145 | 0.0991 | 0.071* | |
C12 | 0.8091 (2) | 0.20936 (19) | 0.05192 (14) | 0.0533 (6) | |
H12A | 0.8282 | 0.1825 | −0.0029 | 0.064* | |
H12B | 0.8892 | 0.2456 | 0.0763 | 0.064* | |
H12C | 0.7348 | 0.2625 | 0.0480 | 0.064* | |
C13 | 0.7827 (2) | 0.14445 (18) | 0.42072 (12) | 0.0463 (5) | |
C14 | 0.9321 (3) | 0.1718 (3) | 0.43167 (18) | 0.0923 (11) | |
H14A | 0.9625 | 0.1575 | 0.4885 | 0.111* | |
H14B | 0.9465 | 0.2500 | 0.4187 | 0.111* | |
H14C | 0.9832 | 0.1255 | 0.3949 | 0.111* | |
C15 | 0.7635 (3) | 0.0215 (2) | 0.43883 (16) | 0.0772 (9) | |
H15A | 0.7926 | 0.0061 | 0.4957 | 0.093* | |
H15B | 0.8172 | −0.0226 | 0.4019 | 0.093* | |
H15C | 0.6684 | 0.0021 | 0.4304 | 0.093* | |
C16 | 0.7044 (3) | 0.2128 (2) | 0.48019 (14) | 0.0673 (7) | |
H16A | 0.7364 | 0.1961 | 0.5364 | 0.081* | |
H16B | 0.6087 | 0.1948 | 0.4736 | 0.081* | |
H16C | 0.7176 | 0.2917 | 0.4690 | 0.081* | |
Si | 0.21139 (6) | 0.50623 (6) | 0.23129 (4) | 0.0498 (2) | |
C17 | 0.2083 (10) | 0.5153 (15) | 0.3417 (4) | 0.095 (3) | 0.542 (19) |
H17D | 0.1336 | 0.5628 | 0.3569 | 0.114* | 0.542 (19) |
H17E | 0.2931 | 0.5470 | 0.3634 | 0.114* | 0.542 (19) |
H17F | 0.1966 | 0.4412 | 0.3646 | 0.114* | 0.542 (19) |
C18 | 0.0579 (10) | 0.4378 (10) | 0.1904 (8) | 0.093 (3) | 0.542 (19) |
H18D | 0.0605 | 0.4327 | 0.1307 | 0.112* | 0.542 (19) |
H18E | −0.0208 | 0.4809 | 0.2052 | 0.112* | 0.542 (19) |
H18F | 0.0522 | 0.3632 | 0.2136 | 0.112* | 0.542 (19) |
C19 | 0.2382 (14) | 0.6380 (7) | 0.1792 (8) | 0.093 (4) | 0.542 (19) |
H19D | 0.2382 | 0.6256 | 0.1200 | 0.111* | 0.542 (19) |
H19E | 0.3247 | 0.6693 | 0.1981 | 0.111* | 0.542 (19) |
H19F | 0.1659 | 0.6895 | 0.1917 | 0.111* | 0.542 (19) |
C17A | 0.2444 (12) | 0.5730 (13) | 0.3330 (6) | 0.078 (3) | 0.458 (19) |
H17A | 0.2555 | 0.5158 | 0.3753 | 0.094* | 0.458 (19) |
H17B | 0.1686 | 0.6209 | 0.3456 | 0.094* | 0.458 (19) |
H17C | 0.3265 | 0.6175 | 0.3317 | 0.094* | 0.458 (19) |
C18A | 0.0574 (12) | 0.4236 (12) | 0.2357 (13) | 0.103 (4) | 0.458 (19) |
H18A | 0.0687 | 0.3675 | 0.2788 | 0.124* | 0.458 (19) |
H18B | 0.0393 | 0.3871 | 0.1829 | 0.124* | 0.458 (19) |
H18C | −0.0181 | 0.4721 | 0.2479 | 0.124* | 0.458 (19) |
C19A | 0.1896 (19) | 0.6146 (14) | 0.1534 (9) | 0.116 (6) | 0.458 (19) |
H19A | 0.2724 | 0.6580 | 0.1511 | 0.139* | 0.458 (19) |
H19B | 0.1153 | 0.6633 | 0.1675 | 0.139* | 0.458 (19) |
H19C | 0.1693 | 0.5805 | 0.0999 | 0.139* | 0.458 (19) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.0305 (9) | 0.0304 (9) | 0.0391 (11) | 0.0008 (7) | 0.0002 (8) | 0.0003 (8) |
C2 | 0.0350 (10) | 0.0365 (10) | 0.0432 (11) | 0.0088 (8) | −0.0023 (8) | 0.0014 (8) |
C3 | 0.0372 (10) | 0.0334 (10) | 0.0359 (10) | −0.0002 (8) | −0.0054 (8) | −0.0012 (8) |
C4 | 0.0332 (10) | 0.0307 (9) | 0.0371 (10) | 0.0015 (8) | −0.0008 (8) | −0.0036 (8) |
C5 | 0.0302 (9) | 0.0284 (9) | 0.0378 (10) | −0.0004 (7) | −0.0022 (8) | 0.0015 (8) |
C6 | 0.0359 (10) | 0.0396 (11) | 0.0362 (10) | 0.0035 (8) | −0.0010 (8) | 0.0014 (8) |
C7 | 0.0354 (10) | 0.0436 (11) | 0.0373 (11) | 0.0034 (9) | −0.0065 (8) | 0.0040 (8) |
C8 | 0.0379 (11) | 0.0537 (13) | 0.0422 (12) | 0.0104 (10) | −0.0026 (9) | 0.0048 (9) |
C9 | 0.0425 (11) | 0.0393 (11) | 0.0383 (11) | 0.0066 (8) | 0.0061 (8) | 0.0008 (8) |
C10 | 0.0766 (18) | 0.0720 (17) | 0.0570 (16) | 0.0358 (14) | 0.0169 (13) | −0.0004 (12) |
C11 | 0.0684 (16) | 0.0619 (15) | 0.0491 (14) | −0.0126 (12) | 0.0111 (11) | −0.0184 (11) |
C12 | 0.0573 (14) | 0.0557 (13) | 0.0479 (13) | −0.0016 (11) | 0.0143 (11) | 0.0041 (10) |
C13 | 0.0524 (13) | 0.0479 (12) | 0.0375 (11) | 0.0071 (10) | −0.0089 (9) | −0.0010 (9) |
C14 | 0.0630 (17) | 0.148 (3) | 0.0636 (18) | −0.0017 (18) | −0.0293 (14) | −0.0079 (18) |
C15 | 0.128 (3) | 0.0534 (15) | 0.0489 (15) | 0.0185 (15) | −0.0100 (15) | 0.0110 (11) |
C16 | 0.096 (2) | 0.0695 (16) | 0.0353 (12) | 0.0244 (15) | −0.0048 (12) | −0.0017 (11) |
Si | 0.0395 (4) | 0.0655 (4) | 0.0444 (4) | 0.0189 (3) | 0.0022 (3) | 0.0012 (3) |
C17 | 0.055 (4) | 0.180 (11) | 0.051 (3) | 0.017 (6) | 0.015 (3) | −0.009 (4) |
C18 | 0.046 (3) | 0.111 (6) | 0.122 (8) | 0.023 (3) | −0.014 (5) | −0.041 (6) |
C19 | 0.093 (7) | 0.063 (4) | 0.126 (8) | 0.043 (4) | 0.054 (6) | 0.012 (4) |
C17A | 0.056 (6) | 0.110 (8) | 0.069 (5) | 0.042 (5) | 0.004 (4) | −0.020 (5) |
C18A | 0.047 (4) | 0.112 (7) | 0.152 (13) | 0.012 (4) | 0.013 (7) | −0.018 (8) |
C19A | 0.105 (11) | 0.151 (11) | 0.094 (7) | 0.089 (8) | 0.044 (7) | 0.064 (8) |
C1—C2 | 1.345 (3) | C14—H14C | 0.9800 |
C1—C5 | 1.488 (2) | C15—H15A | 0.9800 |
C1—C9 | 1.514 (3) | C15—H15B | 0.9800 |
C2—C3 | 1.474 (3) | C15—H15C | 0.9800 |
C2—H2 | 0.9500 | C16—H16A | 0.9800 |
C3—C4 | 1.342 (2) | C16—H16B | 0.9800 |
C3—C13 | 1.506 (3) | C16—H16C | 0.9800 |
C4—C5 | 1.452 (3) | Si—C17 | 1.810 (7) |
C4—H4 | 0.9500 | Si—C19 | 1.829 (8) |
C5—C6 | 1.348 (2) | Si—C19A | 1.833 (9) |
C6—C7 | 1.424 (3) | Si—C18A | 1.835 (9) |
C6—H6 | 0.9500 | Si—C18 | 1.839 (7) |
C7—C8 | 1.205 (3) | Si—C17A | 1.865 (8) |
C8—Si | 1.841 (2) | C17—H17D | 0.9800 |
C9—C10 | 1.525 (3) | C17—H17E | 0.9800 |
C9—C12 | 1.536 (3) | C17—H17F | 0.9800 |
C9—C11 | 1.536 (3) | C18—H18D | 0.9800 |
C10—H10A | 0.9800 | C18—H18E | 0.9800 |
C10—H10B | 0.9800 | C18—H18F | 0.9800 |
C10—H10C | 0.9800 | C19—H19D | 0.9800 |
C11—H11A | 0.9800 | C19—H19E | 0.9800 |
C11—H11B | 0.9800 | C19—H19F | 0.9800 |
C11—H11C | 0.9800 | C17A—H17A | 0.9800 |
C12—H12A | 0.9800 | C17A—H17B | 0.9800 |
C12—H12B | 0.9800 | C17A—H17C | 0.9800 |
C12—H12C | 0.9800 | C18A—H18A | 0.9800 |
C13—C16 | 1.516 (3) | C18A—H18B | 0.9800 |
C13—C14 | 1.528 (3) | C18A—H18C | 0.9800 |
C13—C15 | 1.528 (3) | C19A—H19A | 0.9800 |
C14—H14A | 0.9800 | C19A—H19B | 0.9800 |
C14—H14B | 0.9800 | C19A—H19C | 0.9800 |
C2—C1—C5 | 105.68 (16) | H15A—C15—H15B | 109.5 |
C2—C1—C9 | 127.52 (17) | C13—C15—H15C | 109.5 |
C5—C1—C9 | 126.78 (16) | H15A—C15—H15C | 109.5 |
C1—C2—C3 | 111.13 (16) | H15B—C15—H15C | 109.5 |
C1—C2—H2 | 124.4 | C13—C16—H16A | 109.5 |
C3—C2—H2 | 124.4 | C13—C16—H16B | 109.5 |
C4—C3—C2 | 107.28 (16) | H16A—C16—H16B | 109.5 |
C4—C3—C13 | 129.38 (18) | C13—C16—H16C | 109.5 |
C2—C3—C13 | 123.34 (17) | H16A—C16—H16C | 109.5 |
C3—C4—C5 | 109.26 (17) | H16B—C16—H16C | 109.5 |
C3—C4—H4 | 125.4 | C17—Si—C19 | 114.8 (5) |
C5—C4—H4 | 125.4 | C19A—Si—C18A | 109.9 (6) |
C6—C5—C4 | 125.98 (17) | C17—Si—C18 | 109.9 (4) |
C6—C5—C1 | 127.35 (18) | C19—Si—C18 | 111.0 (4) |
C4—C5—C1 | 106.66 (15) | C17—Si—C8 | 107.4 (4) |
C5—C6—C7 | 124.98 (18) | C19—Si—C8 | 106.4 (4) |
C5—C6—H6 | 117.5 | C19A—Si—C8 | 109.8 (5) |
C7—C6—H6 | 117.5 | C18A—Si—C8 | 109.9 (5) |
C8—C7—C6 | 175.6 (2) | C18—Si—C8 | 106.9 (4) |
C7—C8—Si | 177.9 (2) | C19A—Si—C17A | 108.8 (6) |
C1—C9—C10 | 109.63 (17) | C18A—Si—C17A | 108.4 (5) |
C1—C9—C12 | 111.77 (16) | C8—Si—C17A | 110.0 (3) |
C10—C9—C12 | 107.64 (19) | Si—C17—H17D | 109.5 |
C1—C9—C11 | 110.12 (17) | Si—C17—H17E | 109.5 |
C10—C9—C11 | 107.62 (19) | H17D—C17—H17E | 109.5 |
C12—C9—C11 | 109.94 (18) | Si—C17—H17F | 109.5 |
C9—C10—H10A | 109.5 | H17D—C17—H17F | 109.5 |
C9—C10—H10B | 109.5 | H17E—C17—H17F | 109.5 |
H10A—C10—H10B | 109.5 | Si—C18—H18D | 109.5 |
C9—C10—H10C | 109.5 | Si—C18—H18E | 109.5 |
H10A—C10—H10C | 109.5 | H18D—C18—H18E | 109.5 |
H10B—C10—H10C | 109.5 | Si—C18—H18F | 109.5 |
C9—C11—H11A | 109.5 | H18D—C18—H18F | 109.5 |
C9—C11—H11B | 109.5 | H18E—C18—H18F | 109.5 |
H11A—C11—H11B | 109.5 | Si—C19—H19D | 109.5 |
C9—C11—H11C | 109.5 | Si—C19—H19E | 109.5 |
H11A—C11—H11C | 109.5 | H19D—C19—H19E | 109.5 |
H11B—C11—H11C | 109.5 | Si—C19—H19F | 109.5 |
C9—C12—H12A | 109.5 | H19D—C19—H19F | 109.5 |
C9—C12—H12B | 109.5 | H19E—C19—H19F | 109.5 |
H12A—C12—H12B | 109.5 | Si—C17A—H17A | 109.5 |
C9—C12—H12C | 109.5 | Si—C17A—H17B | 109.5 |
H12A—C12—H12C | 109.5 | H17A—C17A—H17B | 109.5 |
H12B—C12—H12C | 109.5 | Si—C17A—H17C | 109.5 |
C3—C13—C16 | 111.72 (17) | H17A—C17A—H17C | 109.5 |
C3—C13—C14 | 108.8 (2) | H17B—C17A—H17C | 109.5 |
C16—C13—C14 | 109.4 (2) | Si—C18A—H18A | 109.5 |
C3—C13—C15 | 108.90 (18) | Si—C18A—H18B | 109.5 |
C16—C13—C15 | 109.5 (2) | H18A—C18A—H18B | 109.5 |
C14—C13—C15 | 108.5 (2) | Si—C18A—H18C | 109.5 |
C13—C14—H14A | 109.5 | H18A—C18A—H18C | 109.5 |
C13—C14—H14B | 109.5 | H18B—C18A—H18C | 109.5 |
H14A—C14—H14B | 109.5 | Si—C19A—H19A | 109.5 |
C13—C14—H14C | 109.5 | Si—C19A—H19B | 109.5 |
H14A—C14—H14C | 109.5 | H19A—C19A—H19B | 109.5 |
H14B—C14—H14C | 109.5 | Si—C19A—H19C | 109.5 |
C13—C15—H15A | 109.5 | H19A—C19A—H19C | 109.5 |
C13—C15—H15B | 109.5 | H19B—C19A—H19C | 109.5 |
C5—C1—C2—C3 | 0.0 (2) | C1—C5—C6—C7 | 178.96 (18) |
C9—C1—C2—C3 | −178.14 (18) | C2—C1—C9—C10 | −2.6 (3) |
C1—C2—C3—C4 | −0.1 (2) | C5—C1—C9—C10 | 179.66 (19) |
C1—C2—C3—C13 | 179.55 (18) | C2—C1—C9—C12 | −121.9 (2) |
C2—C3—C4—C5 | 0.2 (2) | C5—C1—C9—C12 | 60.4 (3) |
C13—C3—C4—C5 | −179.43 (19) | C2—C1—C9—C11 | 115.6 (2) |
C3—C4—C5—C6 | 179.24 (18) | C5—C1—C9—C11 | −62.1 (2) |
C3—C4—C5—C1 | −0.2 (2) | C4—C3—C13—C16 | −2.3 (3) |
C2—C1—C5—C6 | −179.29 (19) | C2—C3—C13—C16 | 178.2 (2) |
C9—C1—C5—C6 | −1.2 (3) | C4—C3—C13—C14 | −123.2 (3) |
C2—C1—C5—C4 | 0.1 (2) | C2—C3—C13—C14 | 57.3 (3) |
C9—C1—C5—C4 | 178.25 (17) | C4—C3—C13—C15 | 118.7 (2) |
C4—C5—C6—C7 | −0.3 (3) | C2—C3—C13—C15 | −60.8 (3) |