Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805006598/cf6410sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805006598/cf64102sup2.hkl |
CCDC reference: 271831
Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.
C26H19O2P | Dx = 1.350 Mg m−3 |
Mr = 394.38 | Melting point: 194 K |
Orthorhombic, Pca21 | Mo Kα radiation, λ = 0.71073 Å |
a = 19.386 (6) Å | Cell parameters from 543 reflections |
b = 5.5840 (15) Å | θ = 2.1–25.0° |
c = 17.928 (5) Å | µ = 0.16 mm−1 |
V = 1940.7 (10) Å3 | T = 293 K |
Z = 4 | Prism, yellow |
F(000) = 824 | 0.30 × 0.25 × 0.20 mm |
Bruker SMART CCD area-detector diffractometer | 3286 independent reflections |
Radiation source: fine-focus sealed tube | 2286 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.056 |
φ and ω scans | θmax = 25.0°, θmin = 2.1° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −23→14 |
Tmin = 0.953, Tmax = 0.968 | k = −6→6 |
7475 measured reflections | l = −21→18 |
Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.040 | w = 1/[σ2(Fo2) + (0.0329P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.083 | (Δ/σ)max < 0.001 |
S = 0.95 | Δρmax = 0.21 e Å−3 |
3286 reflections | Δρmin = −0.25 e Å−3 |
296 parameters | Extinction correction: SHELXL97, Fc* = kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
1 restraint | Extinction coefficient: 0.0013 (5) |
Primary atom site location: structure-invariant direct methods | Absolute structure: Flack (1983); 1510 Friedel pairs |
Secondary atom site location: difference Fourier map | Absolute structure parameter: −0.16 (11) |
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) | |
P1 | 0.39876 (4) | 0.15460 (13) | 0.18231 (5) | 0.0339 (2) | |
O1 | 0.39270 (11) | −0.1029 (3) | 0.20080 (10) | 0.0420 (6) | |
O2 | 0.33889 (14) | −0.2418 (4) | 0.39450 (14) | 0.0717 (9) | |
C1 | 0.37694 (16) | 0.3426 (5) | 0.26452 (15) | 0.0362 (8) | |
H1 | 0.3807 | 0.5127 | 0.2518 | 0.043* | |
C2 | 0.30395 (18) | 0.2817 (6) | 0.28423 (17) | 0.0386 (8) | |
C3 | 0.2490 (2) | 0.4186 (6) | 0.25796 (19) | 0.0583 (11) | |
H3 | 0.2573 | 0.5548 | 0.2295 | 0.070* | |
C4 | 0.1824 (2) | 0.3522 (9) | 0.2742 (2) | 0.0803 (13) | |
H4 | 0.1459 | 0.4453 | 0.2573 | 0.096* | |
C5 | 0.1695 (2) | 0.1494 (10) | 0.3151 (2) | 0.0788 (14) | |
H5 | 0.1242 | 0.1045 | 0.3251 | 0.095* | |
C6 | 0.2228 (2) | 0.0129 (7) | 0.3414 (2) | 0.0562 (10) | |
H6 | 0.2138 | −0.1258 | 0.3684 | 0.067* | |
C7 | 0.29056 (18) | 0.0826 (6) | 0.32745 (18) | 0.0408 (8) | |
C8 | 0.34749 (19) | −0.0481 (6) | 0.36434 (18) | 0.0470 (9) | |
C9 | 0.41396 (18) | 0.0818 (6) | 0.36992 (17) | 0.0441 (9) | |
C10 | 0.4616 (2) | 0.0143 (8) | 0.4242 (2) | 0.0627 (11) | |
H10 | 0.4533 | −0.1198 | 0.4536 | 0.075* | |
C11 | 0.5214 (3) | 0.1462 (10) | 0.4346 (3) | 0.0828 (15) | |
H11 | 0.5530 | 0.1017 | 0.4710 | 0.099* | |
C12 | 0.5335 (2) | 0.3432 (9) | 0.3907 (2) | 0.0788 (13) | |
H12 | 0.5735 | 0.4323 | 0.3974 | 0.095* | |
C13 | 0.4869 (2) | 0.4097 (7) | 0.3368 (2) | 0.0576 (10) | |
H13 | 0.4957 | 0.5440 | 0.3076 | 0.069* | |
C14 | 0.42726 (18) | 0.2802 (5) | 0.32525 (15) | 0.0382 (8) | |
C15 | 0.4838 (2) | 0.2336 (9) | 0.1512 (3) | 0.0341 (8) | 0.50 |
C16 | 0.4977 (3) | 0.3935 (9) | 0.0937 (3) | 0.0443 (19) | 0.50 |
H16A | 0.4616 | 0.4700 | 0.0692 | 0.053* | 0.50 |
C17 | 0.5654 (3) | 0.4389 (10) | 0.0727 (3) | 0.055 (2) | 0.50 |
H17A | 0.5747 | 0.5458 | 0.0342 | 0.066* | 0.50 |
C18 | 0.6194 (2) | 0.3245 (12) | 0.1093 (3) | 0.048 (7) | 0.50 |
H18A | 0.6647 | 0.3549 | 0.0953 | 0.058* | 0.50 |
C19 | 0.6056 (3) | 0.1646 (11) | 0.1668 (3) | 0.063 (2) | 0.50 |
H19A | 0.6417 | 0.0880 | 0.1913 | 0.076* | 0.50 |
C20 | 0.5378 (3) | 0.1192 (9) | 0.1878 (3) | 0.0439 (19) | 0.50 |
H20A | 0.5285 | 0.0122 | 0.2262 | 0.053* | 0.50 |
C15' | 0.4867 (3) | 0.2271 (10) | 0.1565 (3) | 0.0341 (8) | 0.50 |
C16' | 0.5083 (3) | 0.4587 (8) | 0.1403 (3) | 0.0439 (19) | 0.50 |
H16B | 0.4777 | 0.5861 | 0.1453 | 0.053* | 0.50 |
C17' | 0.5756 (3) | 0.4998 (10) | 0.1168 (3) | 0.060 (2) | 0.50 |
H17B | 0.5900 | 0.6548 | 0.1060 | 0.072* | 0.50 |
C18' | 0.6212 (3) | 0.3094 (14) | 0.1093 (3) | 0.076 (9) | 0.50 |
H18B | 0.6662 | 0.3369 | 0.0936 | 0.091* | 0.50 |
C19' | 0.5996 (3) | 0.0777 (11) | 0.1255 (3) | 0.063 (2) | 0.50 |
H19B | 0.6301 | −0.0497 | 0.1205 | 0.076* | 0.50 |
C20' | 0.5323 (4) | 0.0366 (8) | 0.1490 (3) | 0.045 (2) | 0.50 |
H20B | 0.5178 | −0.1184 | 0.1598 | 0.054* | 0.50 |
C21 | 0.3386 (3) | 0.2443 (10) | 0.1100 (3) | 0.0343 (8) | 0.50 |
C22 | 0.2984 (3) | 0.0635 (8) | 0.0791 (3) | 0.037 (2)* | 0.50 |
H22A | 0.3025 | −0.0927 | 0.0966 | 0.045* | 0.50 |
C23 | 0.2523 (3) | 0.1162 (11) | 0.0221 (3) | 0.054 (3)* | 0.50 |
H23A | 0.2255 | −0.0048 | 0.0014 | 0.065* | 0.50 |
C24 | 0.2463 (3) | 0.3496 (12) | −0.0041 (3) | 0.072 (9) | 0.50 |
H24A | 0.2154 | 0.3849 | −0.0422 | 0.086* | 0.50 |
C25 | 0.2865 (4) | 0.5304 (9) | 0.0269 (3) | 0.042 (2) | 0.50 |
H25A | 0.2824 | 0.6866 | 0.0094 | 0.051* | 0.50 |
C26 | 0.3326 (3) | 0.4777 (9) | 0.0839 (3) | 0.043 (2)* | 0.50 |
H26A | 0.3594 | 0.5987 | 0.1046 | 0.052* | 0.50 |
C21' | 0.3418 (3) | 0.2408 (10) | 0.1092 (3) | 0.0343 (8) | 0.50 |
C22' | 0.2798 (3) | 0.1170 (9) | 0.1044 (3) | 0.0418 (18) | 0.50 |
H22B | 0.2699 | −0.0044 | 0.1383 | 0.050* | 0.50 |
C23' | 0.2325 (2) | 0.1745 (10) | 0.0490 (3) | 0.056 (2) | 0.50 |
H23B | 0.1910 | 0.0917 | 0.0458 | 0.067* | 0.50 |
C24' | 0.2472 (3) | 0.3559 (11) | −0.0017 (3) | 0.043 (7) | 0.50 |
H24B | 0.2156 | 0.3945 | −0.0387 | 0.052* | 0.50 |
C25' | 0.3093 (3) | 0.4797 (10) | 0.0031 (3) | 0.060 (3) | 0.50 |
H25B | 0.3191 | 0.6011 | −0.0308 | 0.072* | 0.50 |
C26' | 0.3566 (3) | 0.4222 (10) | 0.0585 (3) | 0.058 (2) | 0.50 |
H26B | 0.3981 | 0.5050 | 0.0617 | 0.070* | 0.50 |
U11 | U22 | U33 | U12 | U13 | U23 | |
P1 | 0.0414 (5) | 0.0277 (4) | 0.0326 (4) | −0.0017 (4) | 0.0030 (5) | 0.0003 (4) |
O1 | 0.0560 (13) | 0.0291 (11) | 0.0407 (15) | −0.0014 (10) | 0.0026 (11) | 0.0010 (9) |
O2 | 0.093 (2) | 0.0436 (14) | 0.0781 (19) | −0.0033 (15) | 0.0160 (17) | 0.0234 (14) |
C1 | 0.049 (2) | 0.0238 (17) | 0.0361 (19) | −0.0015 (16) | 0.0031 (16) | 0.0040 (15) |
C2 | 0.042 (2) | 0.039 (2) | 0.0355 (19) | 0.0028 (17) | 0.0065 (17) | −0.0082 (16) |
C3 | 0.060 (3) | 0.071 (3) | 0.044 (2) | 0.017 (2) | 0.008 (2) | 0.0048 (19) |
C4 | 0.046 (3) | 0.134 (4) | 0.061 (3) | 0.032 (3) | 0.004 (2) | 0.005 (3) |
C5 | 0.046 (3) | 0.136 (4) | 0.055 (3) | −0.019 (3) | 0.010 (2) | −0.009 (3) |
C6 | 0.055 (3) | 0.067 (3) | 0.047 (2) | −0.015 (2) | 0.008 (2) | −0.0122 (19) |
C7 | 0.050 (2) | 0.0382 (19) | 0.0343 (18) | −0.0078 (18) | 0.0080 (18) | −0.0103 (16) |
C8 | 0.065 (3) | 0.041 (2) | 0.0353 (19) | 0.002 (2) | 0.017 (2) | 0.0009 (17) |
C9 | 0.057 (3) | 0.046 (2) | 0.0293 (17) | 0.0094 (19) | 0.0059 (18) | −0.0031 (15) |
C10 | 0.076 (3) | 0.075 (3) | 0.037 (2) | 0.021 (3) | −0.004 (2) | 0.0033 (19) |
C11 | 0.064 (3) | 0.130 (5) | 0.054 (3) | 0.026 (4) | −0.023 (3) | −0.014 (3) |
C12 | 0.057 (3) | 0.115 (4) | 0.064 (3) | −0.019 (3) | −0.007 (2) | −0.023 (3) |
C13 | 0.058 (3) | 0.065 (3) | 0.049 (2) | −0.015 (2) | 0.008 (2) | −0.0142 (19) |
C14 | 0.046 (2) | 0.0354 (19) | 0.0330 (19) | 0.0029 (16) | 0.0025 (17) | −0.0039 (15) |
C15 | 0.0418 (19) | 0.0289 (19) | 0.0317 (18) | −0.0007 (16) | 0.0030 (16) | −0.0024 (13) |
C16 | 0.045 (5) | 0.041 (5) | 0.047 (5) | 0.008 (4) | 0.004 (4) | 0.008 (4) |
C17 | 0.052 (5) | 0.054 (5) | 0.060 (6) | −0.001 (5) | 0.020 (5) | 0.003 (4) |
C18 | 0.019 (9) | 0.047 (11) | 0.079 (19) | 0.006 (9) | 0.021 (10) | 0.000 (12) |
C19 | 0.034 (4) | 0.069 (5) | 0.088 (8) | 0.010 (5) | −0.004 (5) | 0.009 (5) |
C20 | 0.044 (4) | 0.040 (4) | 0.048 (5) | 0.001 (4) | 0.003 (5) | 0.016 (4) |
C15' | 0.0418 (19) | 0.0289 (19) | 0.0317 (18) | −0.0007 (16) | 0.0030 (16) | −0.0024 (13) |
C16' | 0.042 (5) | 0.035 (5) | 0.054 (5) | 0.002 (3) | 0.006 (4) | −0.002 (4) |
C17' | 0.053 (6) | 0.053 (5) | 0.073 (6) | −0.015 (5) | 0.003 (5) | 0.000 (5) |
C18' | 0.084 (16) | 0.087 (17) | 0.056 (18) | −0.026 (14) | 0.000 (13) | 0.004 (14) |
C19' | 0.052 (6) | 0.068 (6) | 0.070 (6) | 0.001 (5) | 0.005 (5) | 0.007 (5) |
C20' | 0.060 (6) | 0.038 (5) | 0.037 (5) | 0.001 (4) | 0.012 (4) | 0.004 (3) |
C21 | 0.042 (2) | 0.0311 (18) | 0.0298 (17) | −0.0044 (16) | 0.0086 (16) | −0.0026 (14) |
C24 | 0.072 (19) | 0.089 (17) | 0.054 (12) | 0.010 (11) | −0.027 (11) | −0.052 (9) |
C25 | 0.036 (5) | 0.050 (5) | 0.041 (5) | 0.010 (4) | 0.008 (4) | 0.008 (4) |
C21' | 0.042 (2) | 0.0311 (18) | 0.0298 (17) | −0.0044 (16) | 0.0086 (16) | −0.0026 (14) |
C22' | 0.042 (4) | 0.024 (4) | 0.060 (5) | 0.014 (4) | 0.010 (4) | 0.009 (3) |
C23' | 0.045 (5) | 0.043 (5) | 0.080 (6) | 0.009 (4) | −0.006 (5) | 0.000 (5) |
C24' | 0.046 (14) | 0.046 (12) | 0.037 (10) | 0.023 (8) | 0.008 (9) | 0.025 (7) |
C25' | 0.074 (8) | 0.076 (7) | 0.031 (5) | 0.007 (6) | 0.001 (5) | 0.020 (5) |
C26' | 0.067 (6) | 0.056 (5) | 0.053 (5) | −0.016 (5) | −0.017 (5) | 0.010 (4) |
P1—O1 | 1.4803 (18) | C18—C19 | 1.390 |
P1—C21' | 1.780 (4) | C18—H18A | 0.930 |
P1—C15 | 1.796 (5) | C19—C20 | 1.390 |
P1—C15' | 1.812 (5) | C19—H19A | 0.930 |
P1—C21 | 1.814 (5) | C20—H20A | 0.930 |
P1—C1 | 1.858 (3) | C15'—C16' | 1.390 |
O2—C8 | 1.220 (4) | C15'—C20' | 1.390 |
C1—C2 | 1.498 (4) | C16'—C17' | 1.390 |
C1—C14 | 1.503 (4) | C16'—H16B | 0.930 |
C1—H1 | 0.980 | C17'—C18' | 1.390 |
C2—C7 | 1.380 (4) | C17'—H17B | 0.930 |
C2—C3 | 1.394 (4) | C18'—C19' | 1.390 |
C3—C4 | 1.373 (5) | C18'—H18B | 0.930 |
C3—H3 | 0.930 | C19'—C20' | 1.390 |
C4—C5 | 1.373 (6) | C19'—H19B | 0.930 |
C4—H4 | 0.930 | C20'—H20B | 0.930 |
C5—C6 | 1.367 (5) | C21—C22 | 1.390 |
C5—H5 | 0.930 | C21—C26 | 1.390 |
C6—C7 | 1.393 (5) | C22—C23 | 1.390 |
C6—H6 | 0.930 | C22—H22A | 0.930 |
C7—C8 | 1.479 (5) | C23—C24 | 1.390 |
C8—C9 | 1.482 (5) | C23—H23A | 0.930 |
C9—C14 | 1.391 (4) | C24—C25 | 1.390 |
C9—C10 | 1.394 (5) | C24—H24A | 0.930 |
C10—C11 | 1.385 (5) | C25—C26 | 1.390 |
C10—H10 | 0.930 | C25—H25A | 0.930 |
C11—C12 | 1.373 (6) | C26—H26A | 0.930 |
C11—H11 | 0.930 | C21'—C22' | 1.390 |
C12—C13 | 1.374 (5) | C21'—C26' | 1.390 |
C12—H12 | 0.930 | C22'—C23' | 1.390 |
C13—C14 | 1.379 (4) | C22'—H22B | 0.930 |
C13—H13 | 0.930 | C23'—C24' | 1.390 |
C15—C16 | 1.390 | C23'—H23B | 0.930 |
C15—C20 | 1.390 | C24'—C25' | 1.390 |
C16—C17 | 1.390 | C24'—H24B | 0.930 |
C16—H16A | 0.930 | C25'—C26' | 1.390 |
C17—C18 | 1.390 | C25'—H25B | 0.930 |
C17—H17A | 0.930 | C26'—H26B | 0.930 |
O1—P1—C21' | 112.2 (2) | C16—C17—C18 | 120.0 |
O1—P1—C15 | 112.4 (2) | C16—C17—H17A | 120.0 |
C21'—P1—C15 | 105.9 (3) | C18—C17—H17A | 120.0 |
O1—P1—C15' | 110.4 (2) | C17—C18—C19 | 120.0 |
C21'—P1—C15' | 109.5 (3) | C17—C18—H18A | 120.0 |
C15—P1—C15' | 3.6 (3) | C19—C18—H18A | 120.0 |
O1—P1—C21 | 112.1 (2) | C20—C19—C18 | 120.0 |
C21'—P1—C21 | 1.9 (3) | C20—C19—H19A | 120.0 |
C15—P1—C21 | 107.5 (3) | C18—C19—H19A | 120.0 |
C15'—P1—C21 | 111.1 (3) | C19—C20—C15 | 120.0 |
O1—P1—C1 | 110.67 (12) | C19—C20—H20A | 120.0 |
C21'—P1—C1 | 106.9 (2) | C15—C20—H20A | 120.0 |
C15—P1—C1 | 108.47 (19) | C16'—C15'—C20' | 120.0 |
C15'—P1—C1 | 106.90 (18) | C16'—C15'—P1 | 123.0 (4) |
C21—P1—C1 | 105.3 (2) | C20'—C15'—P1 | 116.9 (3) |
C2—C1—C14 | 112.9 (3) | C15'—C16'—C17' | 120.0 |
C2—C1—P1 | 105.9 (2) | C15'—C16'—H16B | 120.0 |
C14—C1—P1 | 107.2 (2) | C17'—C16'—H16B | 120.0 |
C2—C1—H1 | 110.2 | C18'—C17'—C16' | 120.0 |
C14—C1—H1 | 110.2 | C18'—C17'—H17B | 120.0 |
P1—C1—H1 | 110.2 | C16'—C17'—H17B | 120.0 |
C7—C2—C3 | 119.2 (3) | C17'—C18'—C19' | 120.0 |
C7—C2—C1 | 119.5 (3) | C17'—C18'—H18B | 120.0 |
C3—C2—C1 | 121.2 (3) | C19'—C18'—H18B | 120.0 |
C4—C3—C2 | 119.9 (4) | C20'—C19'—C18' | 120.0 |
C4—C3—H3 | 120.0 | C20'—C19'—H19B | 120.0 |
C2—C3—H3 | 120.0 | C18'—C19'—H19B | 120.0 |
C5—C4—C3 | 120.5 (4) | C19'—C20'—C15' | 120.0 |
C5—C4—H4 | 119.7 | C19'—C20'—H20B | 120.0 |
C3—C4—H4 | 119.7 | C15'—C20'—H20B | 120.0 |
C6—C5—C4 | 120.4 (4) | C22—C21—C26 | 120.0 |
C6—C5—H5 | 119.8 | C22—C21—P1 | 116.4 (3) |
C4—C5—H5 | 119.8 | C26—C21—P1 | 123.6 (3) |
C5—C6—C7 | 119.7 (4) | C21—C22—C23 | 120.0 |
C5—C6—H6 | 120.1 | C21—C22—H22A | 120.0 |
C7—C6—H6 | 120.1 | C23—C22—H22A | 120.0 |
C2—C7—C6 | 120.2 (4) | C24—C23—C22 | 120.0 |
C2—C7—C8 | 120.6 (3) | C24—C23—H23A | 120.0 |
C6—C7—C8 | 119.1 (3) | C22—C23—H23A | 120.0 |
O2—C8—C7 | 122.2 (3) | C23—C24—C25 | 120.0 |
O2—C8—C9 | 121.5 (3) | C23—C24—H24A | 120.0 |
C7—C8—C9 | 115.9 (3) | C25—C24—H24A | 120.0 |
C14—C9—C10 | 119.6 (4) | C26—C25—C24 | 120.0 |
C14—C9—C8 | 120.8 (3) | C26—C25—H25A | 120.0 |
C10—C9—C8 | 119.4 (3) | C24—C25—H25A | 120.0 |
C11—C10—C9 | 120.3 (4) | C25—C26—C21 | 120.0 |
C11—C10—H10 | 119.9 | C25—C26—H26A | 120.0 |
C9—C10—H10 | 119.9 | C21—C26—H26A | 120.0 |
C12—C11—C10 | 119.5 (4) | C22'—C21'—C26' | 120.0 |
C12—C11—H11 | 120.3 | C22'—C21'—P1 | 116.6 (3) |
C10—C11—H11 | 120.3 | C26'—C21'—P1 | 123.4 (3) |
C11—C12—C13 | 120.5 (4) | C23'—C22'—C21' | 120.0 |
C11—C12—H12 | 119.8 | C23'—C22'—H22B | 120.0 |
C13—C12—H12 | 119.8 | C21'—C22'—H22B | 120.0 |
C12—C13—C14 | 121.0 (4) | C22'—C23'—C24' | 120.0 |
C12—C13—H13 | 119.5 | C22'—C23'—H23B | 120.0 |
C14—C13—H13 | 119.5 | C24'—C23'—H23B | 120.0 |
C13—C14—C9 | 119.1 (3) | C25'—C24'—C23' | 120.0 |
C13—C14—C1 | 122.1 (3) | C25'—C24'—H24B | 120.0 |
C9—C14—C1 | 118.8 (3) | C23'—C24'—H24B | 120.0 |
C16—C15—C20 | 120.0 | C26'—C25'—C24' | 120.0 |
C16—C15—P1 | 124.4 (3) | C26'—C25'—H25B | 120.0 |
C20—C15—P1 | 115.6 (3) | C24'—C25'—H25B | 120.0 |
C17—C16—C15 | 120.0 | C25'—C26'—C21' | 120.0 |
C17—C16—H16A | 120.0 | C25'—C26'—H26B | 120.0 |
C15—C16—H16A | 120.0 | C21'—C26'—H26B | 120.0 |
O1—P1—C1—C2 | −60.4 (2) | C15—C16—C17—C18 | 0.0 |
C21'—P1—C1—C2 | 62.1 (3) | C16—C17—C18—C19 | 0.0 |
C15—P1—C1—C2 | 175.9 (3) | C17—C18—C19—C20 | 0.0 |
C15'—P1—C1—C2 | 179.3 (3) | C18—C19—C20—C15 | 0.0 |
C21—P1—C1—C2 | 61.1 (3) | C16—C15—C20—C19 | 0.0 |
O1—P1—C1—C14 | 60.5 (2) | P1—C15—C20—C19 | 178.8 (4) |
C21'—P1—C1—C14 | −177.0 (3) | O1—P1—C15'—C16' | −176.3 (3) |
C15—P1—C1—C14 | −63.2 (3) | C21'—P1—C15'—C16' | 59.6 (4) |
C15'—P1—C1—C14 | −59.8 (3) | C15—P1—C15'—C16' | 60 (4) |
C21—P1—C1—C14 | −178.1 (3) | C21—P1—C15'—C16' | 58.6 (4) |
C14—C1—C2—C7 | −34.1 (4) | C1—P1—C15'—C16' | −55.9 (3) |
P1—C1—C2—C7 | 83.0 (3) | O1—P1—C15'—C20' | 7.2 (3) |
C14—C1—C2—C3 | 147.8 (3) | C21'—P1—C15'—C20' | −116.9 (3) |
P1—C1—C2—C3 | −95.1 (3) | C15—P1—C15'—C20' | −116 (5) |
C7—C2—C3—C4 | −1.1 (5) | C21—P1—C15'—C20' | −117.9 (3) |
C1—C2—C3—C4 | 177.0 (3) | C1—P1—C15'—C20' | 127.7 (3) |
C2—C3—C4—C5 | −1.1 (6) | C20'—C15'—C16'—C17' | 0.0 |
C3—C4—C5—C6 | 1.1 (6) | P1—C15'—C16'—C17' | −176.3 (4) |
C4—C5—C6—C7 | 1.0 (6) | C15'—C16'—C17'—C18' | 0.0 |
C3—C2—C7—C6 | 3.2 (5) | C16'—C17'—C18'—C19' | 0.0 |
C1—C2—C7—C6 | −174.9 (3) | C17'—C18'—C19'—C20' | 0.0 |
C3—C2—C7—C8 | −172.0 (3) | C18'—C19'—C20'—C15' | 0.0 |
C1—C2—C7—C8 | 9.9 (4) | C16'—C15'—C20'—C19' | 0.0 |
C5—C6—C7—C2 | −3.2 (5) | P1—C15'—C20'—C19' | 176.6 (4) |
C5—C6—C7—C8 | 172.1 (3) | O1—P1—C21—C22 | −3.4 (3) |
C2—C7—C8—O2 | −170.0 (3) | C21'—P1—C21—C22 | 89 (11) |
C6—C7—C8—O2 | 14.8 (5) | C15—P1—C21—C22 | 120.6 (3) |
C2—C7—C8—C9 | 16.6 (4) | C15'—P1—C21—C22 | 120.7 (3) |
C6—C7—C8—C9 | −158.7 (3) | C1—P1—C21—C22 | −123.9 (3) |
O2—C8—C9—C14 | 168.8 (3) | O1—P1—C21—C26 | 178.3 (3) |
C7—C8—C9—C14 | −17.7 (4) | C21'—P1—C21—C26 | −89 (11) |
O2—C8—C9—C10 | −15.7 (5) | C15—P1—C21—C26 | −57.7 (4) |
C7—C8—C9—C10 | 157.8 (3) | C15'—P1—C21—C26 | −57.6 (4) |
C14—C9—C10—C11 | 1.1 (5) | C1—P1—C21—C26 | 57.8 (3) |
C8—C9—C10—C11 | −174.5 (3) | C26—C21—C22—C23 | 0.0 |
C9—C10—C11—C12 | −0.4 (6) | P1—C21—C22—C23 | −178.4 (4) |
C10—C11—C12—C13 | 0.0 (6) | C21—C22—C23—C24 | 0.0 |
C11—C12—C13—C14 | −0.3 (6) | C22—C23—C24—C25 | 0.0 |
C12—C13—C14—C9 | 1.0 (5) | C23—C24—C25—C26 | 0.0 |
C12—C13—C14—C1 | −177.3 (3) | C24—C25—C26—C21 | 0.0 |
C10—C9—C14—C13 | −1.4 (4) | C22—C21—C26—C25 | 0.0 |
C8—C9—C14—C13 | 174.1 (3) | P1—C21—C26—C25 | 178.2 (4) |
C10—C9—C14—C1 | 177.0 (3) | O1—P1—C21'—C22' | 31.3 (4) |
C8—C9—C14—C1 | −7.6 (4) | C15—P1—C21'—C22' | 154.3 (3) |
C2—C1—C14—C13 | −149.0 (3) | C15'—P1—C21'—C22' | 154.3 (3) |
P1—C1—C14—C13 | 94.7 (3) | C21—P1—C21'—C22' | −57 (10) |
C2—C1—C14—C9 | 32.7 (4) | C1—P1—C21'—C22' | −90.2 (3) |
P1—C1—C14—C9 | −83.6 (3) | O1—P1—C21'—C26' | −149.0 (3) |
O1—P1—C15—C16 | 140.7 (3) | C15—P1—C21'—C26' | −26.0 (4) |
C21'—P1—C15—C16 | 17.8 (4) | C15'—P1—C21'—C26' | −25.9 (4) |
C15'—P1—C15—C16 | −162 (5) | C21—P1—C21'—C26' | 123 (11) |
C21—P1—C15—C16 | 16.8 (4) | C1—P1—C21'—C26' | 89.5 (3) |
C1—P1—C15—C16 | −96.6 (3) | C26'—C21'—C22'—C23' | 0.0 |
O1—P1—C15—C20 | −38.1 (3) | P1—C21'—C22'—C23' | 179.7 (4) |
C21'—P1—C15—C20 | −160.9 (3) | C21'—C22'—C23'—C24' | 0.0 |
C15'—P1—C15—C20 | 20 (4) | C22'—C23'—C24'—C25' | 0.0 |
C21—P1—C15—C20 | −161.9 (3) | C23'—C24'—C25'—C26' | 0.0 |
C1—P1—C15—C20 | 84.6 (3) | C24'—C25'—C26'—C21' | 0.0 |
C20—C15—C16—C17 | 0.0 | C22'—C21'—C26'—C25' | 0.0 |
P1—C15—C16—C17 | −178.7 (4) | P1—C21'—C26'—C25' | −179.7 (4) |