Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803022827/fl6065sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803022827/fl6065Isup2.hkl |
CCDC reference: 226981
Data collection: SMART for WNT/2000 (Bruker 1997-2000); cell refinement: SAINT-Plus (Bruker, 1997-1999); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXL97; software used to prepare material for publication: SHELXL97.
C38H40P2 | Z = 2 |
Mr = 558.64 | F(000) = 596 |
Triclinic, P1 | Dx = 1.193 Mg m−3 |
a = 11.0970 (7) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 11.6441 (7) Å | Cell parameters from 6851 reflections |
c = 13.5466 (8) Å | θ = 2.6–28.3° |
α = 69.279 (1)° | µ = 0.17 mm−1 |
β = 72.818 (1)° | T = 100 K |
γ = 89.604 (1)° | Block, colourless |
V = 1554.77 (16) Å3 | 0.5 × 0.5 × 0.4 mm |
Bruker AXS SMART APEX CCD diffractometer | 7697 independent reflections |
Radiation source: fine-focus sealed tube | 7138 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.021 |
ω scans | θmax = 28.3°, θmin = 1.7° |
Absorption correction: multi scan (SADABS in SAINT-Plus; Bruker 1997-1999) | h = −14→14 |
Tmin = 0.919, Tmax = 0.936 | k = −15→15 |
16351 measured reflections | l = −18→18 |
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)] = 0.037 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.104 | All H-atom parameters refined |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0698P)2 + 0.6662P] where P = (Fo2 + 2Fc2)/3 |
7697 reflections | (Δ/σ)max = 0.002 |
521 parameters | Δρmax = 0.44 e Å−3 |
0 restraints | Δρmin = −0.27 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. |
x | y | z | Uiso*/Ueq | ||
P2 | 0.33572 (2) | 0.98668 (2) | 0.45550 (2) | 0.01700 (8) | |
P1 | 0.48121 (2) | 1.14800 (3) | 0.20292 (2) | 0.01916 (8) | |
C41 | 0.28254 (9) | 1.12861 (9) | 0.47524 (8) | 0.01733 (19) | |
C1 | 0.26805 (9) | 0.97951 (9) | 0.34822 (8) | 0.01684 (19) | |
C44 | 0.19536 (10) | 1.33270 (10) | 0.53098 (9) | 0.0205 (2) | |
C31 | 0.22486 (10) | 0.87155 (9) | 0.58080 (8) | 0.01838 (19) | |
C21 | 0.60379 (10) | 1.04671 (10) | 0.17686 (9) | 0.0198 (2) | |
C26 | 0.58416 (10) | 0.93872 (10) | 0.15866 (9) | 0.0220 (2) | |
H26A | 0.4998 (16) | 0.9131 (15) | 0.1576 (13) | 0.034 (4)* | |
C2 | 0.15871 (10) | 0.90226 (10) | 0.37263 (9) | 0.0192 (2) | |
H2A | 0.1107 (14) | 0.8572 (14) | 0.4470 (13) | 0.026 (4)* | |
C6 | 0.33601 (9) | 1.04750 (9) | 0.23565 (9) | 0.01833 (19) | |
C34 | 0.05785 (11) | 0.68264 (10) | 0.76699 (9) | 0.0225 (2) | |
C46 | 0.19151 (10) | 1.19447 (10) | 0.43333 (9) | 0.0195 (2) | |
H46A | 0.1575 (14) | 1.1709 (14) | 0.3876 (13) | 0.026 (4)* | |
C5 | 0.29290 (10) | 1.03609 (10) | 0.15226 (9) | 0.0217 (2) | |
H5A | 0.3397 (15) | 1.0804 (15) | 0.0742 (13) | 0.032 (4)* | |
C11 | 0.49204 (10) | 1.25302 (10) | 0.06221 (9) | 0.0211 (2) | |
C35 | 0.02206 (10) | 0.80131 (10) | 0.72702 (9) | 0.0211 (2) | |
H35A | −0.0620 (14) | 0.8187 (13) | 0.7617 (12) | 0.023 (3)* | |
C42 | 0.33191 (10) | 1.16765 (10) | 0.54302 (9) | 0.0210 (2) | |
H42A | 0.3975 (15) | 1.1256 (14) | 0.5712 (13) | 0.030 (4)* | |
C22 | 0.72515 (10) | 1.08050 (11) | 0.17632 (9) | 0.0233 (2) | |
H22A | 0.7404 (14) | 1.1557 (14) | 0.1897 (12) | 0.026 (4)* | |
C36 | 0.10419 (10) | 0.89409 (10) | 0.63559 (9) | 0.0201 (2) | |
H36A | 0.0772 (14) | 0.9742 (14) | 0.6102 (12) | 0.025 (3)* | |
C25 | 0.68280 (11) | 0.86712 (10) | 0.13888 (9) | 0.0226 (2) | |
H25A | 0.6676 (14) | 0.7961 (14) | 0.1254 (12) | 0.025 (4)* | |
C23 | 0.82337 (11) | 1.00940 (11) | 0.15570 (10) | 0.0247 (2) | |
H23A | 0.9074 (16) | 1.0336 (15) | 0.1577 (13) | 0.032 (4)* | |
C15 | 0.40989 (11) | 1.42735 (11) | −0.05122 (11) | 0.0267 (2) | |
H15A | 0.3486 (15) | 1.4871 (14) | −0.0555 (13) | 0.031 (4)* | |
C16 | 0.40571 (11) | 1.34134 (11) | 0.05187 (10) | 0.0255 (2) | |
H16A | 0.3435 (15) | 1.3436 (15) | 0.1203 (14) | 0.033 (4)* | |
C45 | 0.14867 (10) | 1.29509 (10) | 0.46108 (9) | 0.0204 (2) | |
H45A | 0.0856 (15) | 1.3374 (14) | 0.4320 (13) | 0.029 (4)* | |
C4 | 0.18467 (10) | 0.95755 (10) | 0.17820 (9) | 0.0223 (2) | |
H4A | 0.1589 (14) | 0.9500 (13) | 0.1188 (12) | 0.024 (3)* | |
C3 | 0.11719 (10) | 0.89114 (10) | 0.28866 (9) | 0.0216 (2) | |
H3A | 0.0416 (15) | 0.8387 (14) | 0.3075 (13) | 0.029 (4)* | |
C47 | 0.14651 (12) | 1.44085 (11) | 0.56187 (10) | 0.0259 (2) | |
H47A | 0.1679 (16) | 1.4394 (15) | 0.6272 (14) | 0.038 (4)* | |
H47B | 0.0519 (16) | 1.4310 (15) | 0.5849 (13) | 0.034 (4)* | |
C24 | 0.80423 (10) | 0.90179 (11) | 0.13656 (9) | 0.0224 (2) | |
C14 | 0.50256 (11) | 1.42987 (10) | −0.14800 (10) | 0.0247 (2) | |
C37 | −0.03397 (13) | 0.57945 (11) | 0.86180 (10) | 0.0277 (2) | |
H37A | −0.0937 (17) | 0.6134 (16) | 0.9104 (14) | 0.038 (4)* | |
H37B | 0.0158 (16) | 0.5267 (15) | 0.9046 (14) | 0.035 (4)* | |
C33 | 0.17982 (12) | 0.66128 (10) | 0.71469 (10) | 0.0263 (2) | |
H33A | 0.2111 (17) | 0.5810 (17) | 0.7436 (15) | 0.041 (4)* | |
C32 | 0.26256 (11) | 0.75408 (10) | 0.62345 (10) | 0.0237 (2) | |
H32A | 0.3467 (16) | 0.7368 (15) | 0.5917 (13) | 0.032 (4)* | |
C13 | 0.58837 (11) | 1.34177 (11) | −0.13792 (10) | 0.0267 (2) | |
H13A | 0.6519 (16) | 1.3412 (15) | −0.2032 (14) | 0.033 (4)* | |
C12 | 0.58366 (11) | 1.25425 (11) | −0.03493 (10) | 0.0243 (2) | |
H12A | 0.6415 (15) | 1.1960 (14) | −0.0306 (13) | 0.029 (4)* | |
C43 | 0.28830 (11) | 1.26841 (10) | 0.57054 (9) | 0.0228 (2) | |
H43A | 0.3221 (14) | 1.2940 (14) | 0.6192 (13) | 0.028 (4)* | |
C17 | 0.50879 (13) | 1.52425 (11) | −0.26044 (11) | 0.0296 (3) | |
H17A | 0.5946 (18) | 1.5542 (17) | −0.3025 (15) | 0.045 (5)* | |
H17B | 0.4646 (15) | 1.5927 (15) | −0.2492 (13) | 0.032 (4)* | |
C28 | 0.90351 (13) | 0.74454 (12) | 0.05220 (12) | 0.0309 (3) | |
H28A | 0.9848 (17) | 0.7075 (16) | 0.0333 (14) | 0.041 (4)* | |
H28B | 0.8857 (18) | 0.7936 (17) | −0.0176 (16) | 0.046 (5)* | |
H28C | 0.8378 (19) | 0.6753 (19) | 0.0972 (17) | 0.053 (5)* | |
C48 | 0.19981 (14) | 1.56523 (11) | 0.46861 (12) | 0.0337 (3) | |
H48A | 0.1632 (17) | 1.6356 (17) | 0.4887 (15) | 0.043 (5)* | |
H48B | 0.1813 (16) | 1.5694 (16) | 0.3970 (15) | 0.040 (4)* | |
H48C | 0.2914 (18) | 1.5758 (16) | 0.4520 (15) | 0.042 (5)* | |
C38 | −0.10732 (13) | 0.50358 (12) | 0.82277 (11) | 0.0313 (3) | |
H38A | −0.1654 (16) | 0.4371 (16) | 0.8878 (14) | 0.036 (4)* | |
H38B | −0.0473 (18) | 0.4660 (17) | 0.7719 (15) | 0.045 (5)* | |
H38C | −0.1550 (17) | 0.5556 (16) | 0.7790 (15) | 0.040 (4)* | |
C27 | 0.91362 (12) | 0.82571 (12) | 0.11641 (11) | 0.0283 (2) | |
H27A | 0.9196 (17) | 0.7721 (16) | 0.1900 (15) | 0.042 (5)* | |
H27B | 0.9962 (17) | 0.8856 (16) | 0.0732 (14) | 0.039 (4)* | |
C18 | 0.45073 (13) | 1.46990 (12) | −0.32567 (11) | 0.0297 (2) | |
H18A | 0.4567 (16) | 1.5291 (16) | −0.3979 (15) | 0.038 (4)* | |
H18B | 0.3634 (16) | 1.4413 (15) | −0.2836 (14) | 0.034 (4)* | |
H18C | 0.4934 (16) | 1.3995 (16) | −0.3361 (13) | 0.035 (4)* |
U11 | U22 | U33 | U12 | U13 | U23 | |
P2 | 0.01613 (13) | 0.01708 (13) | 0.01922 (13) | 0.00407 (9) | −0.00615 (10) | −0.00789 (10) |
P1 | 0.01679 (13) | 0.02069 (14) | 0.02002 (14) | −0.00066 (10) | −0.00323 (10) | −0.00956 (11) |
C41 | 0.0169 (4) | 0.0164 (4) | 0.0177 (4) | 0.0020 (4) | −0.0043 (4) | −0.0060 (4) |
C1 | 0.0163 (4) | 0.0162 (4) | 0.0197 (5) | 0.0039 (3) | −0.0056 (4) | −0.0087 (4) |
C44 | 0.0222 (5) | 0.0170 (5) | 0.0199 (5) | 0.0017 (4) | −0.0031 (4) | −0.0068 (4) |
C31 | 0.0211 (5) | 0.0172 (5) | 0.0180 (4) | 0.0040 (4) | −0.0076 (4) | −0.0066 (4) |
C21 | 0.0182 (5) | 0.0227 (5) | 0.0178 (5) | 0.0003 (4) | −0.0041 (4) | −0.0080 (4) |
C26 | 0.0181 (5) | 0.0238 (5) | 0.0248 (5) | −0.0003 (4) | −0.0062 (4) | −0.0101 (4) |
C2 | 0.0184 (5) | 0.0173 (5) | 0.0203 (5) | 0.0015 (4) | −0.0041 (4) | −0.0065 (4) |
C6 | 0.0160 (4) | 0.0187 (5) | 0.0207 (5) | 0.0020 (4) | −0.0041 (4) | −0.0091 (4) |
C34 | 0.0309 (6) | 0.0193 (5) | 0.0179 (5) | 0.0017 (4) | −0.0090 (4) | −0.0064 (4) |
C46 | 0.0205 (5) | 0.0196 (5) | 0.0209 (5) | 0.0036 (4) | −0.0087 (4) | −0.0087 (4) |
C5 | 0.0199 (5) | 0.0247 (5) | 0.0194 (5) | 0.0002 (4) | −0.0040 (4) | −0.0084 (4) |
C11 | 0.0195 (5) | 0.0196 (5) | 0.0227 (5) | −0.0017 (4) | −0.0042 (4) | −0.0080 (4) |
C35 | 0.0218 (5) | 0.0226 (5) | 0.0198 (5) | 0.0042 (4) | −0.0073 (4) | −0.0082 (4) |
C42 | 0.0219 (5) | 0.0200 (5) | 0.0243 (5) | 0.0045 (4) | −0.0108 (4) | −0.0089 (4) |
C22 | 0.0209 (5) | 0.0273 (5) | 0.0251 (5) | 0.0002 (4) | −0.0072 (4) | −0.0137 (4) |
C36 | 0.0215 (5) | 0.0183 (5) | 0.0214 (5) | 0.0057 (4) | −0.0084 (4) | −0.0070 (4) |
C25 | 0.0233 (5) | 0.0221 (5) | 0.0242 (5) | 0.0021 (4) | −0.0084 (4) | −0.0100 (4) |
C23 | 0.0194 (5) | 0.0319 (6) | 0.0269 (5) | 0.0018 (4) | −0.0085 (4) | −0.0147 (5) |
C15 | 0.0259 (5) | 0.0219 (5) | 0.0332 (6) | 0.0034 (4) | −0.0102 (5) | −0.0105 (5) |
C16 | 0.0230 (5) | 0.0244 (5) | 0.0273 (6) | 0.0021 (4) | −0.0037 (4) | −0.0108 (4) |
C45 | 0.0202 (5) | 0.0184 (5) | 0.0219 (5) | 0.0044 (4) | −0.0071 (4) | −0.0064 (4) |
C4 | 0.0219 (5) | 0.0248 (5) | 0.0232 (5) | 0.0015 (4) | −0.0089 (4) | −0.0110 (4) |
C3 | 0.0191 (5) | 0.0206 (5) | 0.0256 (5) | −0.0001 (4) | −0.0067 (4) | −0.0092 (4) |
C47 | 0.0289 (6) | 0.0225 (5) | 0.0291 (6) | 0.0069 (4) | −0.0075 (5) | −0.0143 (5) |
C24 | 0.0215 (5) | 0.0275 (5) | 0.0204 (5) | 0.0048 (4) | −0.0077 (4) | −0.0106 (4) |
C14 | 0.0251 (5) | 0.0207 (5) | 0.0276 (5) | −0.0037 (4) | −0.0093 (4) | −0.0072 (4) |
C37 | 0.0367 (6) | 0.0223 (5) | 0.0197 (5) | −0.0008 (5) | −0.0060 (5) | −0.0048 (4) |
C33 | 0.0348 (6) | 0.0175 (5) | 0.0252 (5) | 0.0083 (4) | −0.0100 (5) | −0.0061 (4) |
C32 | 0.0262 (5) | 0.0205 (5) | 0.0245 (5) | 0.0090 (4) | −0.0077 (4) | −0.0087 (4) |
C13 | 0.0237 (5) | 0.0282 (6) | 0.0236 (5) | −0.0010 (4) | −0.0031 (4) | −0.0077 (5) |
C12 | 0.0203 (5) | 0.0253 (5) | 0.0247 (5) | 0.0023 (4) | −0.0038 (4) | −0.0089 (4) |
C43 | 0.0272 (5) | 0.0214 (5) | 0.0244 (5) | 0.0033 (4) | −0.0113 (4) | −0.0113 (4) |
C17 | 0.0343 (6) | 0.0228 (5) | 0.0294 (6) | −0.0016 (5) | −0.0119 (5) | −0.0053 (5) |
C28 | 0.0291 (6) | 0.0297 (6) | 0.0387 (7) | 0.0074 (5) | −0.0112 (5) | −0.0178 (5) |
C48 | 0.0352 (7) | 0.0197 (5) | 0.0432 (7) | 0.0048 (5) | −0.0068 (6) | −0.0125 (5) |
C38 | 0.0334 (6) | 0.0285 (6) | 0.0282 (6) | −0.0034 (5) | −0.0055 (5) | −0.0092 (5) |
C27 | 0.0255 (6) | 0.0340 (6) | 0.0327 (6) | 0.0098 (5) | −0.0135 (5) | −0.0173 (5) |
C18 | 0.0311 (6) | 0.0296 (6) | 0.0306 (6) | 0.0063 (5) | −0.0128 (5) | −0.0113 (5) |
P2—C41 | 1.8322 (10) | C15—C16 | 1.3886 (17) |
P2—C31 | 1.8359 (11) | C15—C14 | 1.3978 (17) |
P2—C1 | 1.8478 (10) | C15—H15A | 0.969 (16) |
P1—C21 | 1.8316 (11) | C16—H16A | 0.988 (16) |
P1—C11 | 1.8331 (11) | C45—H45A | 0.953 (16) |
P1—C6 | 1.8436 (11) | C4—C3 | 1.3875 (16) |
C41—C42 | 1.3951 (14) | C4—H4A | 0.960 (15) |
C41—C46 | 1.3967 (14) | C3—H3A | 0.955 (16) |
C1—C2 | 1.3994 (14) | C47—C48 | 1.5229 (18) |
C1—C6 | 1.4126 (14) | C47—H47A | 0.977 (17) |
C44—C43 | 1.3940 (16) | C47—H47B | 0.998 (17) |
C44—C45 | 1.3941 (15) | C24—C27 | 1.5143 (16) |
C44—C47 | 1.5114 (15) | C14—C13 | 1.3935 (17) |
C31—C32 | 1.3984 (14) | C14—C17 | 1.5122 (16) |
C31—C36 | 1.3995 (14) | C37—C38 | 1.5222 (18) |
C21—C26 | 1.3944 (15) | C37—H37A | 0.975 (17) |
C21—C22 | 1.4028 (15) | C37—H37B | 0.975 (17) |
C26—C25 | 1.3919 (15) | C33—C32 | 1.3916 (16) |
C26—H26A | 0.990 (17) | C33—H33A | 0.982 (18) |
C2—C3 | 1.3920 (15) | C32—H32A | 0.958 (17) |
C2—H2A | 0.942 (15) | C13—C12 | 1.3926 (17) |
C6—C5 | 1.3960 (15) | C13—H13A | 0.956 (16) |
C34—C33 | 1.3962 (17) | C12—H12A | 0.929 (16) |
C34—C35 | 1.3966 (15) | C43—H43A | 0.975 (15) |
C34—C37 | 1.5110 (16) | C17—C18 | 1.5278 (18) |
C46—C45 | 1.3923 (15) | C17—H17A | 0.947 (19) |
C46—H46A | 0.928 (16) | C17—H17B | 0.967 (16) |
C5—C4 | 1.3932 (15) | C28—C27 | 1.5177 (17) |
C5—H5A | 0.973 (16) | C28—H28A | 1.000 (18) |
C11—C16 | 1.3995 (16) | C28—H28B | 0.993 (19) |
C11—C12 | 1.4007 (15) | C28—H28C | 0.98 (2) |
C35—C36 | 1.3899 (15) | C48—H48A | 0.999 (18) |
C35—H35A | 0.969 (15) | C48—H48B | 1.034 (18) |
C42—C43 | 1.3945 (15) | C48—H48C | 0.973 (19) |
C42—H42A | 0.971 (16) | C38—H38A | 0.990 (17) |
C22—C23 | 1.3865 (16) | C38—H38B | 1.024 (19) |
C22—H22A | 0.980 (15) | C38—H38C | 0.962 (18) |
C36—H36A | 0.953 (15) | C27—H27A | 0.993 (18) |
C25—C24 | 1.3976 (15) | C27—H27B | 1.035 (18) |
C25—H25A | 0.934 (15) | C18—H18A | 0.961 (18) |
C23—C24 | 1.3960 (16) | C18—H18B | 0.958 (17) |
C23—H23A | 0.987 (16) | C18—H18C | 0.976 (17) |
C41—P2—C31 | 99.78 (5) | C4—C3—C2 | 119.92 (10) |
C41—P2—C1 | 102.89 (5) | C4—C3—H3A | 120.3 (9) |
C31—P2—C1 | 100.75 (5) | C2—C3—H3A | 119.7 (9) |
C21—P1—C11 | 102.58 (5) | C44—C47—C48 | 113.05 (10) |
C21—P1—C6 | 101.25 (5) | C44—C47—H47A | 109.9 (10) |
C11—P1—C6 | 99.89 (5) | C48—C47—H47A | 108.5 (10) |
C42—C41—C46 | 118.65 (9) | C44—C47—H47B | 108.9 (10) |
C42—C41—P2 | 116.52 (8) | C48—C47—H47B | 110.6 (9) |
C46—C41—P2 | 124.70 (8) | H47A—C47—H47B | 105.6 (13) |
C2—C1—C6 | 118.54 (9) | C23—C24—C25 | 118.15 (10) |
C2—C1—P2 | 123.08 (8) | C23—C24—C27 | 119.48 (10) |
C6—C1—P2 | 118.16 (8) | C25—C24—C27 | 122.36 (10) |
C43—C44—C45 | 118.17 (10) | C13—C14—C15 | 117.95 (11) |
C43—C44—C47 | 121.35 (10) | C13—C14—C17 | 120.91 (11) |
C45—C44—C47 | 120.48 (10) | C15—C14—C17 | 121.14 (11) |
C32—C31—C36 | 118.02 (10) | C34—C37—C38 | 113.00 (10) |
C32—C31—P2 | 118.16 (8) | C34—C37—H37A | 109.8 (10) |
C36—C31—P2 | 123.81 (8) | C38—C37—H37A | 109.3 (10) |
C26—C21—C22 | 118.30 (10) | C34—C37—H37B | 106.9 (10) |
C26—C21—P1 | 124.52 (8) | C38—C37—H37B | 109.9 (10) |
C22—C21—P1 | 117.18 (8) | H37A—C37—H37B | 107.8 (14) |
C25—C26—C21 | 120.92 (10) | C32—C33—C34 | 121.31 (10) |
C25—C26—H26A | 118.9 (9) | C32—C33—H33A | 118.0 (10) |
C21—C26—H26A | 120.1 (9) | C34—C33—H33A | 120.7 (10) |
C3—C2—C1 | 121.33 (10) | C33—C32—C31 | 120.60 (10) |
C3—C2—H2A | 118.4 (9) | C33—C32—H32A | 118.9 (9) |
C1—C2—H2A | 120.3 (9) | C31—C32—H32A | 120.5 (10) |
C5—C6—C1 | 119.55 (9) | C12—C13—C14 | 121.52 (11) |
C5—C6—P1 | 121.71 (8) | C12—C13—H13A | 119.2 (10) |
C1—C6—P1 | 118.74 (8) | C14—C13—H13A | 119.3 (10) |
C33—C34—C35 | 118.02 (10) | C13—C12—C11 | 120.50 (11) |
C33—C34—C37 | 120.94 (10) | C13—C12—H12A | 119.8 (10) |
C35—C34—C37 | 121.01 (11) | C11—C12—H12A | 119.7 (10) |
C45—C46—C41 | 120.57 (10) | C44—C43—C42 | 121.16 (10) |
C45—C46—H46A | 118.9 (9) | C44—C43—H43A | 119.0 (9) |
C41—C46—H46A | 120.5 (9) | C42—C43—H43A | 119.8 (9) |
C4—C5—C6 | 121.06 (10) | C14—C17—C18 | 112.12 (10) |
C4—C5—H5A | 118.1 (9) | C14—C17—H17A | 109.4 (11) |
C6—C5—H5A | 120.8 (10) | C18—C17—H17A | 108.4 (11) |
C16—C11—C12 | 117.89 (10) | C14—C17—H17B | 108.3 (10) |
C16—C11—P1 | 117.45 (8) | C18—C17—H17B | 110.1 (10) |
C12—C11—P1 | 124.61 (9) | H17A—C17—H17B | 108.4 (14) |
C36—C35—C34 | 120.81 (10) | C27—C28—H28A | 109.9 (10) |
C36—C35—H35A | 119.4 (9) | C27—C28—H28B | 110.5 (11) |
C34—C35—H35A | 119.8 (9) | H28A—C28—H28B | 109.0 (14) |
C43—C42—C41 | 120.38 (10) | C27—C28—H28C | 111.0 (12) |
C43—C42—H42A | 119.0 (9) | H28A—C28—H28C | 106.1 (15) |
C41—C42—H42A | 120.6 (9) | H28B—C28—H28C | 110.2 (16) |
C23—C22—C21 | 120.57 (10) | C47—C48—H48A | 112.2 (10) |
C23—C22—H22A | 120.0 (9) | C47—C48—H48B | 110.9 (10) |
C21—C22—H22A | 119.4 (9) | H48A—C48—H48B | 107.9 (14) |
C35—C36—C31 | 121.15 (10) | C47—C48—H48C | 109.1 (10) |
C35—C36—H36A | 118.9 (9) | H48A—C48—H48C | 108.8 (15) |
C31—C36—H36A | 119.9 (9) | H48B—C48—H48C | 107.9 (14) |
C26—C25—C24 | 120.81 (10) | C37—C38—H38A | 109.8 (10) |
C26—C25—H25A | 119.2 (9) | C37—C38—H38B | 111.3 (11) |
C24—C25—H25A | 119.9 (9) | H38A—C38—H38B | 109.7 (14) |
C22—C23—C24 | 121.24 (10) | C37—C38—H38C | 110.2 (11) |
C22—C23—H23A | 119.3 (9) | H38A—C38—H38C | 109.8 (14) |
C24—C23—H23A | 119.4 (9) | H38B—C38—H38C | 105.9 (14) |
C16—C15—C14 | 120.80 (11) | C24—C27—C28 | 115.58 (10) |
C16—C15—H15A | 119.3 (9) | C24—C27—H27A | 107.6 (10) |
C14—C15—H15A | 119.9 (9) | C28—C27—H27A | 108.4 (10) |
C15—C16—C11 | 121.32 (11) | C24—C27—H27B | 108.1 (10) |
C15—C16—H16A | 120.3 (9) | C28—C27—H27B | 108.3 (10) |
C11—C16—H16A | 118.3 (9) | H27A—C27—H27B | 108.6 (14) |
C46—C45—C44 | 121.04 (10) | C17—C18—H18A | 112.2 (10) |
C46—C45—H45A | 118.6 (9) | C17—C18—H18B | 108.3 (10) |
C44—C45—H45A | 120.4 (9) | H18A—C18—H18B | 109.7 (14) |
C3—C4—C5 | 119.59 (10) | C17—C18—H18C | 110.9 (10) |
C3—C4—H4A | 121.4 (9) | H18A—C18—H18C | 107.6 (14) |
C5—C4—H4A | 119.0 (9) | H18B—C18—H18C | 108.0 (14) |
C31—P2—C41—C42 | 83.93 (9) | C34—C35—C36—C31 | 0.08 (16) |
C1—P2—C41—C42 | −172.56 (8) | C32—C31—C36—C35 | −2.53 (16) |
C31—P2—C41—C46 | −91.89 (10) | P2—C31—C36—C35 | 176.82 (8) |
C1—P2—C41—C46 | 11.62 (10) | C21—C26—C25—C24 | −0.11 (17) |
C41—P2—C1—C2 | −101.72 (9) | C21—C22—C23—C24 | −0.93 (18) |
C31—P2—C1—C2 | 1.04 (10) | C14—C15—C16—C11 | −1.33 (18) |
C41—P2—C1—C6 | 83.75 (9) | C12—C11—C16—C15 | 0.29 (17) |
C31—P2—C1—C6 | −173.49 (8) | P1—C11—C16—C15 | 177.74 (9) |
C41—P2—C31—C32 | −153.75 (9) | C41—C46—C45—C44 | 0.08 (16) |
C1—P2—C31—C32 | 100.99 (9) | C43—C44—C45—C46 | 1.36 (16) |
C41—P2—C31—C36 | 26.90 (10) | C47—C44—C45—C46 | −179.03 (10) |
C1—P2—C31—C36 | −78.36 (10) | C6—C5—C4—C3 | 1.15 (17) |
C11—P1—C21—C26 | −87.94 (10) | C5—C4—C3—C2 | −0.74 (17) |
C6—P1—C21—C26 | 14.99 (10) | C1—C2—C3—C4 | −0.05 (16) |
C11—P1—C21—C22 | 92.63 (9) | C43—C44—C47—C48 | 103.64 (13) |
C6—P1—C21—C22 | −164.44 (9) | C45—C44—C47—C48 | −75.95 (14) |
C22—C21—C26—C25 | −0.90 (16) | C22—C23—C24—C25 | −0.10 (17) |
P1—C21—C26—C25 | 179.68 (8) | C22—C23—C24—C27 | −178.91 (11) |
C6—C1—C2—C3 | 0.42 (15) | C26—C25—C24—C23 | 0.62 (17) |
P2—C1—C2—C3 | −174.09 (8) | C26—C25—C24—C27 | 179.40 (11) |
C2—C1—C6—C5 | −0.01 (15) | C16—C15—C14—C13 | 1.48 (17) |
P2—C1—C6—C5 | 174.77 (8) | C16—C15—C14—C17 | −179.23 (11) |
C2—C1—C6—P1 | −179.27 (8) | C33—C34—C37—C38 | −85.23 (14) |
P2—C1—C6—P1 | −4.49 (11) | C35—C34—C37—C38 | 92.93 (13) |
C21—P1—C6—C5 | −83.18 (9) | C35—C34—C33—C32 | −1.77 (17) |
C11—P1—C6—C5 | 21.90 (10) | C37—C34—C33—C32 | 176.44 (11) |
C21—P1—C6—C1 | 96.06 (9) | C34—C33—C32—C31 | −0.69 (18) |
C11—P1—C6—C1 | −158.86 (8) | C36—C31—C32—C33 | 2.82 (17) |
C42—C41—C46—C45 | −1.64 (16) | P2—C31—C32—C33 | −176.57 (9) |
P2—C41—C46—C45 | 174.10 (8) | C15—C14—C13—C12 | −0.64 (17) |
C1—C6—C5—C4 | −0.77 (16) | C17—C14—C13—C12 | −179.94 (11) |
P1—C6—C5—C4 | 178.46 (8) | C14—C13—C12—C11 | −0.37 (18) |
C21—P1—C11—C16 | 177.53 (9) | C16—C11—C12—C13 | 0.55 (17) |
C6—P1—C11—C16 | 73.54 (9) | P1—C11—C12—C13 | −176.71 (9) |
C21—P1—C11—C12 | −5.20 (11) | C45—C44—C43—C42 | −1.26 (17) |
C6—P1—C11—C12 | −109.19 (10) | C47—C44—C43—C42 | 179.15 (10) |
C33—C34—C35—C36 | 2.07 (16) | C41—C42—C43—C44 | −0.30 (17) |
C37—C34—C35—C36 | −176.14 (10) | C13—C14—C17—C18 | 78.30 (15) |
C46—C41—C42—C43 | 1.74 (16) | C15—C14—C17—C18 | −100.97 (14) |
P2—C41—C42—C43 | −174.34 (9) | C23—C24—C27—C28 | −156.15 (12) |
C26—C21—C22—C23 | 1.41 (17) | C25—C24—C27—C28 | 25.09 (17) |
P1—C21—C22—C23 | −179.12 (9) |