Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768199014020/gs0001sup1.cif | |
Structure factor file (SHELXL table format) https://doi.org/10.1107/S0108768199014020/gs0001sup2.sft | |
Text file https://doi.org/10.1107/S0108768199014020/gs0001sup3.txt |
CCDC reference: 144378
Program(s) used to solve structure: SIR88 (Casearano,1988); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997).
C57H104O6 | Z = 2 |
Mr = 885.40 | F(000) = 988 |
Triclinic, P1 | Dx = 1.051 Mg m−3 |
a = 11.6650 (12) Å | Cu Kα radiation, λ = 1.54178 Å |
b = 44.933 (5) Å | Cell parameters from 25 reflections |
c = 5.432 (6) Å | θ = 15–27° |
α = 87.034 (10)° | µ = 0.50 mm−1 |
β = 100.17 (9)° | T = 173 K |
γ = 89.09 (9)° | Prism, colourless |
V = 2798 (3) Å3 | 0.30 × 0.15 × 0.05 mm |
Enraf-Nonius CAD-4 diffractometer | Rint = 0.034 |
Radiation source: fine-focus sealed tube | θmax = 65.0°, θmin = 3.0° |
Graphite monochromator | h = −13→13 |
θ/2θ scans | k = −52→52 |
10414 measured reflections | l = −3→6 |
9523 independent reflections | 3 standard reflections every 200 reflections |
6467 reflections with I > 2σ(I) | intensity decay: 7% |
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)] = 0.112 | H-riding |
wR(F2) = 0.201 | Calculated w = 1/[σ2(Fo2) + (0.046P)2 + 0.5807P] where P = (Fo2 + 2Fc2)/3 |
S = 1.20 | (Δ/σ)max = 0.030 |
9523 reflections | Δρmax = 0.27 e Å−3 |
569 parameters | Δρmin = −0.21 e Å−3 |
0 restraints | Extinction correction: SHELXL97 (Sheldrick, 1997), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.00010 (5) |
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 | ||
C1 | 0.5186 (3) | 0.97146 (8) | 0.7873 (8) | 0.0526 (10) | |
H1A | 0.4993 | 0.9631 | 0.9447 | 0.079* | |
H1B | 0.4586 | 0.9863 | 0.7109 | 0.079* | |
H1C | 0.5943 | 0.9810 | 0.8211 | 0.079* | |
C2 | 0.5240 (3) | 0.94664 (8) | 0.6090 (7) | 0.0470 (9) | |
H2A | 0.4459 | 0.9379 | 0.5689 | 0.056* | |
H2B | 0.5436 | 0.9553 | 0.4509 | 0.056* | |
C3 | 0.6122 (3) | 0.92197 (7) | 0.7130 (6) | 0.0384 (8) | |
H3A | 0.6902 | 0.9307 | 0.7527 | 0.046* | |
H3B | 0.5926 | 0.9134 | 0.8714 | 0.046* | |
C4 | 0.6177 (3) | 0.89724 (7) | 0.5374 (6) | 0.0368 (8) | |
H4A | 0.6373 | 0.9059 | 0.3790 | 0.044* | |
H4B | 0.5396 | 0.8885 | 0.4975 | 0.044* | |
C5 | 0.7054 (3) | 0.87254 (7) | 0.6395 (6) | 0.0392 (8) | |
H5A | 0.6862 | 0.8639 | 0.7982 | 0.047* | |
H5B | 0.7837 | 0.8812 | 0.6783 | 0.047* | |
C6 | 0.7098 (3) | 0.84771 (7) | 0.4620 (6) | 0.0383 (8) | |
H6A | 0.7266 | 0.8564 | 0.3013 | 0.046* | |
H6B | 0.6322 | 0.8387 | 0.4273 | 0.046* | |
C7 | 0.8009 (3) | 0.82328 (7) | 0.5621 (6) | 0.0370 (8) | |
H7A | 0.7845 | 0.8146 | 0.7232 | 0.044* | |
H7B | 0.8787 | 0.8323 | 0.5953 | 0.044* | |
C8 | 0.8036 (3) | 0.79834 (7) | 0.3821 (6) | 0.0416 (9) | |
H8A | 0.7261 | 0.7892 | 0.3515 | 0.050* | |
H8B | 0.8183 | 0.8071 | 0.2200 | 0.050* | |
C9 | 0.8946 (3) | 0.77439 (7) | 0.4767 (7) | 0.0437 (9) | |
H9 | 0.9727 | 0.7807 | 0.5167 | 0.052* | |
C10 | 0.8788 (3) | 0.74644 (7) | 0.5095 (6) | 0.0396 (8) | |
H10 | 0.8006 | 0.7402 | 0.4709 | 0.047* | |
C11 | 0.9687 (3) | 0.72258 (7) | 0.6010 (7) | 0.0393 (8) | |
H11A | 0.9531 | 0.7134 | 0.7611 | 0.047* | |
H11B | 1.0461 | 0.7317 | 0.6351 | 0.047* | |
C12 | 0.9724 (3) | 0.69814 (7) | 0.4170 (6) | 0.0353 (8) | |
H12A | 0.8943 | 0.6894 | 0.3788 | 0.042* | |
H12B | 0.9903 | 0.7072 | 0.2586 | 0.042* | |
C13 | 1.0619 (3) | 0.67329 (7) | 0.5141 (6) | 0.0375 (8) | |
H13A | 1.1398 | 0.6821 | 0.5538 | 0.045* | |
H13B | 1.0434 | 0.6641 | 0.6716 | 0.045* | |
C14 | 1.0665 (3) | 0.64903 (6) | 0.3300 (6) | 0.0312 (7) | |
H14A | 0.9881 | 0.6406 | 0.2878 | 0.037* | |
H14B | 1.0863 | 0.6582 | 0.1737 | 0.037* | |
C15 | 1.1530 (3) | 0.62411 (7) | 0.4258 (6) | 0.0331 (7) | |
H15A | 1.1311 | 0.6143 | 0.5776 | 0.040* | |
H15B | 1.2309 | 0.6326 | 0.4752 | 0.040* | |
C16 | 1.1607 (3) | 0.60061 (7) | 0.2350 (6) | 0.0323 (7) | |
H16A | 1.0818 | 0.5931 | 0.1771 | 0.039* | |
H16B | 1.1876 | 0.6102 | 0.0879 | 0.039* | |
C17 | 1.2414 (3) | 0.57460 (7) | 0.3356 (5) | 0.0309 (7) | |
H17A | 1.3177 | 0.5823 | 0.4132 | 0.037* | |
H17B | 1.2090 | 0.5634 | 0.4682 | 0.037* | |
C18 | 1.2597 (3) | 0.55391 (6) | 0.1406 (6) | 0.0283 (7) | |
O1 | 1.2486 (2) | 0.56063 (5) | −0.0814 (4) | 0.0395 (6) | |
O2 | 1.29758 (19) | 0.52660 (4) | 0.2404 (4) | 0.0300 (5) | |
C19 | 1.3171 (3) | 0.50488 (6) | 0.0619 (6) | 0.0287 (7) | |
H19 | 1.3500 | 0.5151 | −0.0771 | 0.034* | |
O3 | 1.4277 (2) | 0.46062 (5) | 0.0482 (4) | 0.0350 (5) | |
O4 | 1.4708 (2) | 0.42831 (5) | 0.3807 (4) | 0.0513 (7) | |
C20 | 1.4082 (3) | 0.48390 (7) | 0.2118 (6) | 0.0344 (8) | |
H20A | 1.4812 | 0.4945 | 0.2668 | 0.041* | |
H20B | 1.3806 | 0.4753 | 0.3618 | 0.041* | |
C21 | 1.4552 (3) | 0.43312 (7) | 0.1594 (6) | 0.0309 (7) | |
C22 | 1.4607 (3) | 0.41033 (6) | −0.0320 (6) | 0.0312 (7) | |
H22A | 1.4884 | 0.4199 | −0.1784 | 0.037* | |
H22B | 1.3815 | 0.4030 | −0.0903 | 0.037* | |
C23 | 1.5417 (3) | 0.38400 (6) | 0.0734 (5) | 0.0279 (7) | |
H23A | 1.6214 | 0.3913 | 0.1269 | 0.033* | |
H23B | 1.5155 | 0.3749 | 0.2233 | 0.033* | |
C24 | 1.5454 (3) | 0.36027 (7) | −0.1151 (5) | 0.0294 (7) | |
H24A | 1.5669 | 0.3696 | −0.2692 | 0.035* | |
H24B | 1.4667 | 0.3520 | −0.1606 | 0.035* | |
C25 | 1.6319 (3) | 0.33491 (7) | −0.0147 (6) | 0.0335 (7) | |
H25A | 1.7105 | 0.3433 | 0.0278 | 0.040* | |
H25B | 1.6113 | 0.3261 | 0.1421 | 0.040* | |
C26 | 1.6372 (3) | 0.31015 (7) | −0.1936 (6) | 0.0329 (7) | |
H26A | 1.5593 | 0.3013 | −0.2328 | 0.039* | |
H26B | 1.6562 | 0.3189 | −0.3521 | 0.039* | |
C27 | 1.7258 (3) | 0.28566 (7) | −0.0917 (7) | 0.0397 (8) | |
H27A | 1.7079 | 0.2771 | 0.0685 | 0.048* | |
H27B | 1.8040 | 0.2944 | −0.0561 | 0.048* | |
C28 | 1.7283 (4) | 0.26070 (8) | −0.2709 (7) | 0.0488 (10) | |
H28A | 1.6515 | 0.2511 | −0.2974 | 0.059* | |
H28B | 1.7408 | 0.2695 | −0.4348 | 0.059* | |
C29 | 1.8215 (4) | 0.23723 (8) | −0.1787 (7) | 0.0497 (10) | |
H29 | 1.8992 | 0.2437 | −0.1349 | 0.060* | |
C30 | 1.8045 (3) | 0.20898 (7) | −0.1542 (7) | 0.0447 (9) | |
H30 | 1.7268 | 0.2025 | −0.1978 | 0.054* | |
C31 | 1.8971 (3) | 0.18557 (7) | −0.0627 (7) | 0.0466 (9) | |
H31A | 1.8843 | 0.1766 | 0.1002 | 0.056* | |
H31B | 1.9741 | 0.1950 | −0.0351 | 0.056* | |
C32 | 1.8984 (3) | 0.16096 (7) | −0.2469 (6) | 0.0389 (8) | |
H32A | 1.9158 | 0.1698 | −0.4064 | 0.047* | |
H32B | 1.8199 | 0.1524 | −0.2824 | 0.047* | |
C33 | 1.9879 (3) | 0.13587 (7) | −0.1490 (7) | 0.0399 (8) | |
H33A | 2.0662 | 0.1446 | −0.1125 | 0.048* | |
H33B | 1.9703 | 0.1271 | 0.0106 | 0.048* | |
C34 | 1.9915 (3) | 0.11119 (7) | −0.3274 (6) | 0.0366 (8) | |
H34A | 1.9129 | 0.1028 | −0.3671 | 0.044* | |
H34B | 2.0111 | 0.1199 | −0.4856 | 0.044* | |
C35 | 2.0782 (3) | 0.08609 (7) | −0.2280 (6) | 0.0385 (8) | |
H35A | 2.0578 | 0.0770 | −0.0720 | 0.046* | |
H35B | 2.1568 | 0.0945 | −0.1854 | 0.046* | |
C36 | 2.0820 (3) | 0.06173 (7) | −0.4140 (7) | 0.0413 (9) | |
H36A | 2.0031 | 0.0536 | −0.4589 | 0.050* | |
H36B | 2.1037 | 0.0708 | −0.5689 | 0.050* | |
C37 | 2.1673 (4) | 0.03625 (8) | −0.3132 (7) | 0.0518 (10) | |
H37A | 2.2457 | 0.0445 | −0.2626 | 0.062* | |
H37B | 2.1440 | 0.0268 | −0.1617 | 0.062* | |
C38 | 2.1744 (4) | 0.01266 (9) | −0.4998 (8) | 0.0603 (12) | |
H38A | 2.0987 | 0.0033 | −0.5410 | 0.090* | |
H38B | 2.2337 | −0.0025 | −0.4265 | 0.090* | |
H38C | 2.1954 | 0.0219 | −0.6524 | 0.090* | |
O5 | 1.17331 (19) | 0.47234 (5) | 0.1618 (4) | 0.0379 (6) | |
C39 | 1.2063 (3) | 0.49027 (6) | −0.0453 (6) | 0.0312 (7) | |
H39A | 1.1448 | 0.5054 | −0.1128 | 0.037* | |
H39B | 1.2187 | 0.4775 | −0.1819 | 0.037* | |
C40 | 1.0685 (3) | 0.45911 (7) | 0.1152 (6) | 0.0348 (8) | |
O6 | 1.0062 (2) | 0.46229 (6) | −0.0865 (4) | 0.0455 (6) | |
C41 | 1.0444 (3) | 0.44171 (7) | 0.3412 (6) | 0.0326 (7) | |
H41A | 0.9688 | 0.4318 | 0.2981 | 0.039* | |
H41B | 1.0376 | 0.4556 | 0.4738 | 0.039* | |
C42 | 1.1387 (3) | 0.41810 (7) | 0.4435 (6) | 0.0334 (7) | |
H42A | 1.2147 | 0.4279 | 0.4824 | 0.040* | |
H42B | 1.1216 | 0.4088 | 0.6016 | 0.040* | |
C43 | 1.1477 (3) | 0.39401 (7) | 0.2617 (6) | 0.0316 (7) | |
H43A | 1.1679 | 0.4033 | 0.1064 | 0.038* | |
H43B | 1.0705 | 0.3849 | 0.2169 | 0.038* | |
C44 | 1.2384 (3) | 0.36921 (7) | 0.3641 (6) | 0.0363 (8) | |
H44A | 1.3164 | 0.3780 | 0.4016 | 0.044* | |
H44B | 1.2202 | 0.3603 | 0.5228 | 0.044* | |
C45 | 1.2413 (3) | 0.34483 (7) | 0.1809 (6) | 0.0341 (7) | |
H45A | 1.2605 | 0.3538 | 0.0233 | 0.041* | |
H45B | 1.1628 | 0.3364 | 0.1412 | 0.041* | |
C46 | 1.3293 (3) | 0.31974 (7) | 0.2802 (6) | 0.0319 (7) | |
H46A | 1.3105 | 0.3108 | 0.4382 | 0.038* | |
H46B | 1.4080 | 0.3281 | 0.3185 | 0.038* | |
C47 | 1.3303 (3) | 0.29537 (8) | 0.0939 (7) | 0.0450 (9) | |
H47A | 1.2528 | 0.2862 | 0.0638 | 0.054* | |
H47B | 1.3440 | 0.3046 | −0.0675 | 0.054* | |
C48 | 1.4214 (3) | 0.27134 (8) | 0.1815 (7) | 0.0464 (9) | |
H48 | 1.4993 | 0.2776 | 0.2280 | 0.056* | |
C49 | 1.4049 (4) | 0.24309 (8) | 0.2000 (7) | 0.0507 (10) | |
H49 | 1.3272 | 0.2368 | 0.1522 | 0.061* | |
C50 | 1.4960 (4) | 0.21911 (8) | 0.2894 (7) | 0.0512 (10) | |
H50A | 1.4832 | 0.2105 | 0.4535 | 0.061* | |
H50B | 1.5734 | 0.2283 | 0.3158 | 0.061* | |
C51 | 1.4976 (3) | 0.19397 (7) | 0.1125 (6) | 0.0397 (8) | |
H51A | 1.5148 | 0.2022 | −0.0491 | 0.048* | |
H51B | 1.4194 | 0.1852 | 0.0796 | 0.048* | |
C52 | 1.5886 (3) | 0.16929 (7) | 0.2194 (6) | 0.0383 (8) | |
H52A | 1.6665 | 0.1782 | 0.2542 | 0.046* | |
H52B | 1.5708 | 0.1610 | 0.3804 | 0.046* | |
C53 | 1.5927 (3) | 0.14392 (7) | 0.0440 (6) | 0.0393 (8) | |
H53A | 1.5149 | 0.1350 | 0.0081 | 0.047* | |
H53B | 1.6114 | 0.1521 | −0.1166 | 0.047* | |
C54 | 1.6829 (3) | 0.11959 (7) | 0.1541 (6) | 0.0390 (8) | |
H54A | 1.7603 | 0.1286 | 0.1931 | 0.047* | |
H54B | 1.6633 | 0.1112 | 0.3133 | 0.047* | |
C55 | 1.6898 (3) | 0.09454 (7) | −0.0182 (7) | 0.0390 (8) | |
H55A | 1.7085 | 0.1029 | −0.1782 | 0.047* | |
H55B | 1.6126 | 0.0853 | −0.0555 | 0.047* | |
C56 | 1.7804 (3) | 0.07056 (8) | 0.0903 (7) | 0.0449 (9) | |
H56A | 1.7610 | 0.0620 | 0.2489 | 0.054* | |
H56B | 1.8573 | 0.0799 | 0.1304 | 0.054* | |
C57 | 1.7897 (4) | 0.04540 (8) | −0.0837 (7) | 0.0523 (10) | |
H57A | 1.7156 | 0.0351 | −0.1152 | 0.078* | |
H57B | 1.8519 | 0.0313 | −0.0051 | 0.078* | |
H57C | 1.8076 | 0.0537 | −0.2427 | 0.078* |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.059 (3) | 0.036 (2) | 0.064 (3) | 0.0137 (18) | 0.011 (2) | −0.0101 (18) |
C2 | 0.065 (3) | 0.037 (2) | 0.038 (2) | 0.0072 (18) | 0.0071 (18) | −0.0104 (16) |
C3 | 0.047 (2) | 0.0326 (18) | 0.0359 (19) | 0.0051 (15) | 0.0095 (16) | −0.0007 (15) |
C4 | 0.044 (2) | 0.0312 (18) | 0.0317 (18) | 0.0087 (15) | −0.0019 (15) | −0.0058 (14) |
C5 | 0.046 (2) | 0.0373 (19) | 0.0338 (19) | 0.0121 (16) | 0.0069 (16) | −0.0035 (15) |
C6 | 0.043 (2) | 0.0329 (18) | 0.0369 (19) | 0.0088 (15) | 0.0020 (15) | −0.0029 (15) |
C7 | 0.040 (2) | 0.0369 (19) | 0.0321 (18) | 0.0072 (15) | 0.0008 (15) | −0.0053 (15) |
C8 | 0.049 (2) | 0.0370 (19) | 0.0355 (19) | 0.0147 (16) | 0.0001 (16) | −0.0045 (15) |
C9 | 0.047 (2) | 0.033 (2) | 0.050 (2) | 0.0081 (16) | 0.0034 (18) | −0.0129 (16) |
C10 | 0.051 (2) | 0.0312 (18) | 0.0367 (19) | 0.0139 (16) | 0.0089 (16) | −0.0023 (14) |
C11 | 0.051 (2) | 0.0244 (17) | 0.042 (2) | 0.0069 (15) | 0.0060 (17) | −0.0029 (14) |
C12 | 0.046 (2) | 0.0284 (17) | 0.0301 (18) | 0.0104 (15) | 0.0033 (15) | −0.0024 (13) |
C13 | 0.050 (2) | 0.0282 (17) | 0.0343 (18) | 0.0076 (15) | 0.0060 (16) | −0.0063 (14) |
C14 | 0.0433 (19) | 0.0254 (16) | 0.0226 (16) | 0.0032 (14) | −0.0005 (14) | −0.0041 (12) |
C15 | 0.0409 (18) | 0.0251 (16) | 0.0311 (17) | 0.0051 (14) | 0.0002 (14) | −0.0047 (13) |
C16 | 0.0387 (18) | 0.0304 (17) | 0.0255 (17) | 0.0105 (14) | 0.0004 (14) | −0.0029 (13) |
C17 | 0.045 (2) | 0.0282 (16) | 0.0212 (16) | 0.0057 (14) | 0.0092 (14) | −0.0099 (12) |
C18 | 0.0341 (17) | 0.0215 (15) | 0.0296 (17) | −0.0054 (12) | 0.0059 (13) | −0.0031 (12) |
O1 | 0.0605 (16) | 0.0302 (12) | 0.0288 (13) | 0.0060 (11) | 0.0109 (11) | −0.0022 (10) |
O2 | 0.0444 (13) | 0.0232 (11) | 0.0229 (11) | 0.0072 (9) | 0.0065 (10) | −0.0071 (8) |
C19 | 0.0343 (17) | 0.0276 (16) | 0.0248 (16) | 0.0028 (13) | 0.0049 (13) | −0.0098 (13) |
O3 | 0.0515 (14) | 0.0252 (11) | 0.0274 (12) | 0.0117 (10) | 0.0063 (10) | 0.0011 (9) |
O4 | 0.088 (2) | 0.0439 (15) | 0.0194 (12) | 0.0227 (14) | 0.0041 (12) | −0.0014 (10) |
C20 | 0.0419 (19) | 0.0337 (18) | 0.0300 (17) | 0.0053 (15) | 0.0102 (15) | −0.0141 (14) |
C21 | 0.0323 (17) | 0.0325 (17) | 0.0252 (17) | 0.0077 (14) | −0.0019 (13) | −0.0018 (13) |
C22 | 0.0416 (19) | 0.0214 (15) | 0.0292 (17) | 0.0081 (13) | 0.0023 (14) | −0.0030 (13) |
C23 | 0.0432 (18) | 0.0235 (15) | 0.0178 (15) | 0.0027 (13) | 0.0072 (13) | −0.0026 (12) |
C24 | 0.0337 (17) | 0.0312 (17) | 0.0223 (16) | 0.0031 (13) | 0.0010 (13) | −0.0060 (13) |
C25 | 0.0350 (18) | 0.0257 (16) | 0.0382 (19) | 0.0089 (13) | 0.0027 (15) | −0.0021 (14) |
C26 | 0.0409 (19) | 0.0288 (16) | 0.0281 (17) | 0.0065 (14) | 0.0028 (14) | −0.0067 (13) |
C27 | 0.044 (2) | 0.0270 (17) | 0.046 (2) | 0.0106 (15) | 0.0025 (16) | −0.0076 (15) |
C28 | 0.071 (3) | 0.0303 (19) | 0.040 (2) | 0.0144 (18) | −0.0038 (19) | −0.0052 (16) |
C29 | 0.055 (2) | 0.041 (2) | 0.051 (2) | 0.0031 (18) | 0.0003 (19) | −0.0159 (18) |
C30 | 0.050 (2) | 0.0295 (18) | 0.051 (2) | 0.0010 (16) | −0.0050 (18) | −0.0084 (16) |
C31 | 0.062 (2) | 0.0328 (19) | 0.047 (2) | 0.0063 (17) | 0.0121 (19) | −0.0079 (16) |
C32 | 0.0409 (19) | 0.0333 (18) | 0.040 (2) | 0.0149 (15) | 0.0031 (16) | −0.0029 (15) |
C33 | 0.043 (2) | 0.0302 (18) | 0.044 (2) | 0.0103 (15) | 0.0023 (16) | −0.0006 (15) |
C34 | 0.0402 (19) | 0.0265 (17) | 0.041 (2) | 0.0079 (14) | 0.0011 (15) | −0.0064 (14) |
C35 | 0.049 (2) | 0.0264 (17) | 0.040 (2) | 0.0068 (15) | 0.0078 (16) | −0.0022 (14) |
C36 | 0.049 (2) | 0.0352 (19) | 0.041 (2) | 0.0066 (16) | 0.0123 (17) | −0.0022 (15) |
C37 | 0.068 (3) | 0.036 (2) | 0.049 (2) | 0.0193 (19) | 0.005 (2) | −0.0034 (17) |
C38 | 0.084 (3) | 0.044 (2) | 0.056 (3) | 0.004 (2) | 0.019 (2) | −0.0151 (19) |
O5 | 0.0384 (13) | 0.0385 (13) | 0.0338 (13) | −0.0070 (10) | −0.0013 (10) | 0.0005 (10) |
C39 | 0.042 (2) | 0.0219 (16) | 0.0274 (17) | 0.0016 (13) | 0.0014 (14) | −0.0001 (12) |
C40 | 0.0437 (19) | 0.0234 (16) | 0.039 (2) | 0.0042 (14) | 0.0120 (16) | −0.0069 (14) |
O6 | 0.0476 (15) | 0.0542 (16) | 0.0322 (14) | −0.0046 (12) | 0.0009 (12) | 0.0002 (11) |
C41 | 0.0313 (17) | 0.0355 (18) | 0.0327 (18) | 0.0019 (14) | 0.0099 (14) | −0.0045 (14) |
C42 | 0.0402 (19) | 0.0352 (18) | 0.0259 (17) | 0.0002 (14) | 0.0093 (14) | −0.0003 (13) |
C43 | 0.0419 (19) | 0.0305 (17) | 0.0208 (15) | 0.0017 (14) | −0.0006 (13) | −0.0093 (13) |
C44 | 0.0423 (19) | 0.0340 (18) | 0.0291 (18) | 0.0032 (15) | −0.0020 (15) | 0.0013 (14) |
C45 | 0.0416 (19) | 0.0297 (17) | 0.0292 (17) | 0.0101 (14) | 0.0029 (14) | 0.0008 (13) |
C46 | 0.0371 (18) | 0.0270 (16) | 0.0305 (17) | 0.0070 (14) | 0.0029 (14) | −0.0040 (13) |
C47 | 0.040 (2) | 0.045 (2) | 0.050 (2) | 0.0094 (16) | 0.0059 (17) | −0.0110 (17) |
C48 | 0.048 (2) | 0.038 (2) | 0.047 (2) | 0.0096 (17) | −0.0079 (17) | −0.0098 (17) |
C49 | 0.055 (2) | 0.049 (2) | 0.048 (2) | 0.0059 (19) | 0.0093 (19) | −0.0076 (18) |
C50 | 0.075 (3) | 0.035 (2) | 0.042 (2) | 0.0135 (19) | 0.004 (2) | −0.0110 (17) |
C51 | 0.050 (2) | 0.0266 (17) | 0.039 (2) | 0.0065 (15) | 0.0009 (17) | −0.0012 (15) |
C52 | 0.049 (2) | 0.0366 (19) | 0.0259 (17) | 0.0014 (16) | −0.0036 (15) | −0.0068 (14) |
C53 | 0.058 (2) | 0.0313 (18) | 0.0271 (17) | 0.0023 (16) | 0.0006 (16) | −0.0108 (14) |
C54 | 0.048 (2) | 0.0342 (18) | 0.0344 (19) | 0.0025 (15) | 0.0046 (16) | −0.0062 (15) |
C55 | 0.043 (2) | 0.0338 (18) | 0.040 (2) | 0.0020 (15) | 0.0064 (16) | −0.0059 (15) |
C56 | 0.047 (2) | 0.042 (2) | 0.044 (2) | 0.0138 (17) | 0.0041 (17) | −0.0032 (16) |
C57 | 0.063 (3) | 0.040 (2) | 0.054 (2) | 0.0080 (18) | 0.012 (2) | −0.0077 (18) |
C1—C2 | 1.522 (5) | C29—C30 | 1.292 (5) |
C1—H1A | 0.9800 | C29—H29 | 0.9500 |
C1—H1B | 0.9800 | C30—C31 | 1.497 (5) |
C1—H1C | 0.9800 | C30—H30 | 0.9500 |
C2—C3 | 1.517 (5) | C31—C32 | 1.531 (4) |
C2—H2A | 0.9900 | C31—H31A | 0.9900 |
C2—H2B | 0.9900 | C31—H31B | 0.9900 |
C3—C4 | 1.509 (4) | C32—C33 | 1.533 (4) |
C3—H3A | 0.9900 | C32—H32A | 0.9900 |
C3—H3B | 0.9900 | C32—H32B | 0.9900 |
C4—C5 | 1.512 (4) | C33—C34 | 1.515 (4) |
C4—H4A | 0.9900 | C33—H33A | 0.9900 |
C4—H4B | 0.9900 | C33—H33B | 0.9900 |
C5—C6 | 1.518 (4) | C34—C35 | 1.514 (4) |
C5—H5A | 0.9900 | C34—H34A | 0.9900 |
C5—H5B | 0.9900 | C34—H34B | 0.9900 |
C6—C7 | 1.526 (4) | C35—C36 | 1.533 (4) |
C6—H6A | 0.9900 | C35—H35A | 0.9900 |
C6—H6B | 0.9900 | C35—H35B | 0.9900 |
C7—C8 | 1.528 (4) | C36—C37 | 1.519 (5) |
C7—H7A | 0.9900 | C36—H36A | 0.9900 |
C7—H7B | 0.9900 | C36—H36B | 0.9900 |
C8—C9 | 1.504 (5) | C37—C38 | 1.515 (5) |
C8—H8A | 0.9900 | C37—H37A | 0.9900 |
C8—H8B | 0.9900 | C37—H37B | 0.9900 |
C9—C10 | 1.280 (5) | C38—H38A | 0.9800 |
C9—H9 | 0.9500 | C38—H38B | 0.9800 |
C10—C11 | 1.490 (4) | C38—H38C | 0.9800 |
C10—H10 | 0.9500 | O5—C40 | 1.358 (4) |
C11—C12 | 1.528 (4) | O5—C39 | 1.460 (4) |
C11—H11A | 0.9900 | C39—H39A | 0.9900 |
C11—H11B | 0.9900 | C39—H39B | 0.9900 |
C12—C13 | 1.524 (4) | C40—O6 | 1.203 (4) |
C12—H12A | 0.9900 | C40—C41 | 1.492 (4) |
C12—H12B | 0.9900 | C41—C42 | 1.526 (4) |
C13—C14 | 1.524 (4) | C41—H41A | 0.9900 |
C13—H13A | 0.9900 | C41—H41B | 0.9900 |
C13—H13B | 0.9900 | C42—C43 | 1.517 (4) |
C14—C15 | 1.504 (4) | C42—H42A | 0.9900 |
C14—H14A | 0.9900 | C42—H42B | 0.9900 |
C14—H14B | 0.9900 | C43—C44 | 1.537 (4) |
C15—C16 | 1.530 (4) | C43—H43A | 0.9900 |
C15—H15A | 0.9900 | C43—H43B | 0.9900 |
C15—H15B | 0.9900 | C44—C45 | 1.521 (4) |
C16—C17 | 1.506 (4) | C44—H44A | 0.9900 |
C16—H16A | 0.9900 | C44—H44B | 0.9900 |
C16—H16B | 0.9900 | C45—C46 | 1.523 (4) |
C17—C18 | 1.486 (4) | C45—H45A | 0.9900 |
C17—H17A | 0.9900 | C45—H45B | 0.9900 |
C17—H17B | 0.9900 | C46—C47 | 1.530 (4) |
C18—O1 | 1.212 (4) | C46—H46A | 0.9900 |
C18—O2 | 1.350 (4) | C46—H46B | 0.9900 |
O2—C19 | 1.454 (3) | C47—C48 | 1.501 (5) |
C19—C39 | 1.497 (4) | C47—H47A | 0.9900 |
C19—C20 | 1.505 (4) | C47—H47B | 0.9900 |
C19—H19 | 1.0000 | C48—C49 | 1.288 (5) |
O3—C21 | 1.355 (4) | C48—H48 | 0.9500 |
O3—C20 | 1.448 (3) | C49—C50 | 1.501 (5) |
O4—C21 | 1.192 (4) | C49—H49 | 0.9500 |
C20—H20A | 0.9900 | C50—C51 | 1.522 (4) |
C20—H20B | 0.9900 | C50—H50A | 0.9900 |
C21—C22 | 1.505 (4) | C50—H50B | 0.9900 |
C22—C23 | 1.524 (4) | C51—C52 | 1.541 (4) |
C22—H22A | 0.9900 | C51—H51A | 0.9900 |
C22—H22B | 0.9900 | C51—H51B | 0.9900 |
C23—C24 | 1.522 (4) | C52—C53 | 1.529 (4) |
C23—H23A | 0.9900 | C52—H52A | 0.9900 |
C23—H23B | 0.9900 | C52—H52B | 0.9900 |
C24—C25 | 1.523 (4) | C53—C54 | 1.527 (5) |
C24—H24A | 0.9900 | C53—H53A | 0.9900 |
C24—H24B | 0.9900 | C53—H53B | 0.9900 |
C25—C26 | 1.522 (4) | C54—C55 | 1.511 (4) |
C25—H25A | 0.9900 | C54—H54A | 0.9900 |
C25—H25B | 0.9900 | C54—H54B | 0.9900 |
C26—C27 | 1.512 (4) | C55—C56 | 1.518 (5) |
C26—H26A | 0.9900 | C55—H55A | 0.9900 |
C26—H26B | 0.9900 | C55—H55B | 0.9900 |
C27—C28 | 1.526 (4) | C56—C57 | 1.525 (5) |
C27—H27A | 0.9900 | C56—H56A | 0.9900 |
C27—H27B | 0.9900 | C56—H56B | 0.9900 |
C28—C29 | 1.504 (5) | C57—H57A | 0.9800 |
C28—H28A | 0.9900 | C57—H57B | 0.9800 |
C28—H28B | 0.9900 | C57—H57C | 0.9800 |
C2—C1—H1A | 109.5 | C30—C29—H29 | 117.3 |
C2—C1—H1B | 109.5 | C28—C29—H29 | 117.3 |
H1A—C1—H1B | 109.5 | C29—C30—C31 | 125.4 (4) |
C2—C1—H1C | 109.5 | C29—C30—H30 | 117.3 |
H1A—C1—H1C | 109.5 | C31—C30—H30 | 117.3 |
H1B—C1—H1C | 109.5 | C30—C31—C32 | 112.5 (3) |
C3—C2—C1 | 113.7 (3) | C30—C31—H31A | 109.1 |
C3—C2—H2A | 108.8 | C32—C31—H31A | 109.1 |
C1—C2—H2A | 108.8 | C30—C31—H31B | 109.1 |
C3—C2—H2B | 108.8 | C32—C31—H31B | 109.1 |
C1—C2—H2B | 108.8 | H31A—C31—H31B | 107.8 |
H2A—C2—H2B | 107.7 | C31—C32—C33 | 113.2 (3) |
C4—C3—C2 | 114.0 (3) | C31—C32—H32A | 108.9 |
C4—C3—H3A | 108.8 | C33—C32—H32A | 108.9 |
C2—C3—H3A | 108.8 | C31—C32—H32B | 108.9 |
C4—C3—H3B | 108.8 | C33—C32—H32B | 108.9 |
C2—C3—H3B | 108.8 | H32A—C32—H32B | 107.8 |
H3A—C3—H3B | 107.7 | C34—C33—C32 | 114.4 (3) |
C3—C4—C5 | 114.3 (3) | C34—C33—H33A | 108.7 |
C3—C4—H4A | 108.7 | C32—C33—H33A | 108.6 |
C5—C4—H4A | 108.7 | C34—C33—H33B | 108.6 |
C3—C4—H4B | 108.7 | C32—C33—H33B | 108.6 |
C5—C4—H4B | 108.7 | H33A—C33—H33B | 107.6 |
H4A—C4—H4B | 107.6 | C35—C34—C33 | 114.4 (3) |
C4—C5—C6 | 113.9 (3) | C35—C34—H34A | 108.7 |
C4—C5—H5A | 108.8 | C33—C34—H34A | 108.7 |
C6—C5—H5A | 108.8 | C35—C34—H34B | 108.7 |
C4—C5—H5B | 108.8 | C33—C34—H34B | 108.7 |
C6—C5—H5B | 108.8 | H34A—C34—H34B | 107.6 |
H5A—C5—H5B | 107.7 | C34—C35—C36 | 113.4 (3) |
C5—C6—C7 | 113.8 (3) | C34—C35—H35A | 108.9 |
C5—C6—H6A | 108.8 | C36—C35—H35A | 108.9 |
C7—C6—H6A | 108.8 | C34—C35—H35B | 108.9 |
C5—C6—H6B | 108.8 | C36—C35—H35B | 108.9 |
C7—C6—H6B | 108.8 | H35A—C35—H35B | 107.7 |
H6A—C6—H6B | 107.7 | C37—C36—C35 | 113.5 (3) |
C6—C7—C8 | 113.2 (3) | C37—C36—H36A | 108.9 |
C6—C7—H7A | 108.9 | C35—C36—H36A | 108.9 |
C8—C7—H7A | 108.9 | C37—C36—H36B | 108.9 |
C6—C7—H7B | 108.9 | C35—C36—H36B | 108.9 |
C8—C7—H7B | 108.9 | H36A—C36—H36B | 107.7 |
H7A—C7—H7B | 107.8 | C38—C37—C36 | 113.6 (3) |
C9—C8—C7 | 113.7 (3) | C38—C37—H37A | 108.8 |
C9—C8—H8A | 108.8 | C36—C37—H37A | 108.8 |
C7—C8—H8A | 108.8 | C38—C37—H37B | 108.8 |
C9—C8—H8B | 108.8 | C36—C37—H37B | 108.8 |
C7—C8—H8B | 108.8 | H37A—C37—H37B | 107.7 |
H8A—C8—H8B | 107.7 | C37—C38—H38A | 109.5 |
C10—C9—C8 | 127.4 (4) | C37—C38—H38B | 109.5 |
C10—C9—H9 | 116.3 | H38A—C38—H38B | 109.5 |
C8—C9—H9 | 116.3 | C37—C38—H38C | 109.5 |
C9—C10—C11 | 127.7 (4) | H38A—C38—H38C | 109.5 |
C9—C10—H10 | 116.2 | H38B—C38—H38C | 109.5 |
C11—C10—H10 | 116.2 | C40—O5—C39 | 116.5 (3) |
C10—C11—C12 | 113.7 (3) | O5—C39—C19 | 105.8 (3) |
C10—C11—H11A | 108.8 | O5—C39—H39A | 110.6 |
C12—C11—H11A | 108.8 | C19—C39—H39A | 110.6 |
C10—C11—H11B | 108.8 | O5—C39—H39B | 110.6 |
C12—C11—H11B | 108.8 | C19—C39—H39B | 110.6 |
H11A—C11—H11B | 107.7 | H39A—C39—H39B | 108.7 |
C13—C12—C11 | 113.6 (3) | O6—C40—O5 | 121.3 (3) |
C13—C12—H12A | 108.8 | O6—C40—C41 | 127.3 (3) |
C11—C12—H12A | 108.8 | O5—C40—C41 | 111.4 (3) |
C13—C12—H12B | 108.8 | C40—C41—C42 | 113.1 (3) |
C11—C12—H12B | 108.8 | C40—C41—H41A | 109.0 |
H12A—C12—H12B | 107.7 | C42—C41—H41A | 109.0 |
C14—C13—C12 | 113.7 (3) | C40—C41—H41B | 109.0 |
C14—C13—H13A | 108.8 | C42—C41—H41B | 109.0 |
C12—C13—H13A | 108.8 | H41A—C41—H41B | 107.8 |
C14—C13—H13B | 108.8 | C43—C42—C41 | 112.9 (3) |
C12—C13—H13B | 108.8 | C43—C42—H42A | 109.0 |
H13A—C13—H13B | 107.7 | C41—C42—H42A | 109.0 |
C15—C14—C13 | 114.2 (3) | C43—C42—H42B | 109.0 |
C15—C14—H14A | 108.7 | C41—C42—H42B | 109.0 |
C13—C14—H14A | 108.7 | H42A—C42—H42B | 107.8 |
C15—C14—H14B | 108.7 | C42—C43—C44 | 114.0 (3) |
C13—C14—H14B | 108.7 | C42—C43—H43A | 108.8 |
H14A—C14—H14B | 107.6 | C44—C43—H43A | 108.8 |
C14—C15—C16 | 113.7 (3) | C42—C43—H43B | 108.8 |
C14—C15—H15A | 108.8 | C44—C43—H43B | 108.8 |
C16—C15—H15A | 108.8 | H43A—C43—H43B | 107.7 |
C14—C15—H15B | 108.8 | C45—C44—C43 | 112.4 (3) |
C16—C15—H15B | 108.8 | C45—C44—H44A | 109.1 |
H15A—C15—H15B | 107.7 | C43—C44—H44A | 109.1 |
C17—C16—C15 | 113.8 (3) | C45—C44—H44B | 109.1 |
C17—C16—H16A | 108.8 | C43—C44—H44B | 109.1 |
C15—C16—H16A | 108.8 | H44A—C44—H44B | 107.8 |
C17—C16—H16B | 108.8 | C44—C45—C46 | 113.4 (3) |
C15—C16—H16B | 108.8 | C44—C45—H45A | 108.9 |
H16A—C16—H16B | 107.7 | C46—C45—H45A | 108.9 |
C18—C17—C16 | 113.3 (3) | C44—C45—H45B | 108.9 |
C18—C17—H17A | 108.9 | C46—C45—H45B | 108.9 |
C16—C17—H17A | 108.9 | H45A—C45—H45B | 107.7 |
C18—C17—H17B | 108.9 | C45—C46—C47 | 112.6 (3) |
C16—C17—H17B | 108.9 | C45—C46—H46A | 109.1 |
H17A—C17—H17B | 107.7 | C47—C46—H46A | 109.1 |
O1—C18—O2 | 122.8 (3) | C45—C46—H46B | 109.1 |
O1—C18—C17 | 125.1 (3) | C47—C46—H46B | 109.1 |
O2—C18—C17 | 112.1 (3) | H46A—C46—H46B | 107.8 |
C18—O2—C19 | 115.6 (2) | C48—C47—C46 | 113.4 (3) |
O2—C19—C39 | 111.3 (3) | C48—C47—H47A | 108.9 |
O2—C19—C20 | 103.4 (2) | C46—C47—H47A | 108.9 |
C39—C19—C20 | 114.2 (3) | C48—C47—H47B | 108.9 |
O2—C19—H19 | 109.2 | C46—C47—H47B | 108.9 |
C39—C19—H19 | 109.2 | H47A—C47—H47B | 107.7 |
C20—C19—H19 | 109.2 | C49—C48—C47 | 126.7 (4) |
C21—O3—C20 | 116.3 (2) | C49—C48—H48 | 116.6 |
O3—C20—C19 | 106.4 (3) | C47—C48—H48 | 116.6 |
O3—C20—H20A | 110.4 | C48—C49—C50 | 126.7 (4) |
C19—C20—H20A | 110.4 | C48—C49—H49 | 116.7 |
O3—C20—H20B | 110.4 | C50—C49—H49 | 116.7 |
C19—C20—H20B | 110.4 | C49—C50—C51 | 114.7 (3) |
H20A—C20—H20B | 108.6 | C49—C50—H50A | 108.6 |
O4—C21—O3 | 122.9 (3) | C51—C50—H50A | 108.6 |
O4—C21—C22 | 125.9 (3) | C49—C50—H50B | 108.6 |
O3—C21—C22 | 111.2 (3) | C51—C50—H50B | 108.6 |
C21—C22—C23 | 112.0 (3) | H50A—C50—H50B | 107.6 |
C21—C22—H22A | 109.2 | C50—C51—C52 | 112.4 (3) |
C23—C22—H22A | 109.2 | C50—C51—H51A | 109.1 |
C21—C22—H22B | 109.2 | C52—C51—H51A | 109.1 |
C23—C22—H22B | 109.2 | C50—C51—H51B | 109.1 |
H22A—C22—H22B | 107.9 | C52—C51—H51B | 109.1 |
C24—C23—C22 | 112.7 (3) | H51A—C51—H51B | 107.9 |
C24—C23—H23A | 109.0 | C53—C52—C51 | 113.4 (3) |
C22—C23—H23A | 109.0 | C53—C52—H52A | 108.9 |
C24—C23—H23B | 109.0 | C51—C52—H52A | 108.9 |
C22—C23—H23B | 109.0 | C53—C52—H52B | 108.9 |
H23A—C23—H23B | 107.8 | C51—C52—H52B | 108.9 |
C23—C24—C25 | 112.6 (3) | H52A—C52—H52B | 107.7 |
C23—C24—H24A | 109.1 | C54—C53—C52 | 112.6 (3) |
C25—C24—H24A | 109.1 | C54—C53—H53A | 109.1 |
C23—C24—H24B | 109.1 | C52—C53—H53A | 109.1 |
C25—C24—H24B | 109.1 | C54—C53—H53B | 109.1 |
H24A—C24—H24B | 107.8 | C52—C53—H53B | 109.1 |
C26—C25—C24 | 114.8 (3) | H53A—C53—H53B | 107.8 |
C26—C25—H25A | 108.6 | C55—C54—C53 | 113.5 (3) |
C24—C25—H25A | 108.6 | C55—C54—H54A | 108.9 |
C26—C25—H25B | 108.6 | C53—C54—H54A | 108.9 |
C24—C25—H25B | 108.6 | C55—C54—H54B | 108.9 |
H25A—C25—H25B | 107.5 | C53—C54—H54B | 108.9 |
C27—C26—C25 | 113.7 (3) | H54A—C54—H54B | 107.7 |
C27—C26—H26A | 108.8 | C54—C55—C56 | 113.4 (3) |
C25—C26—H26A | 108.8 | C54—C55—H55A | 108.9 |
C27—C26—H26B | 108.8 | C56—C55—H55A | 108.9 |
C25—C26—H26B | 108.8 | C54—C55—H55B | 108.9 |
H26A—C26—H26B | 107.7 | C56—C55—H55B | 108.9 |
C26—C27—C28 | 113.1 (3) | H55A—C55—H55B | 107.7 |
C26—C27—H27A | 109.0 | C55—C56—C57 | 113.9 (3) |
C28—C27—H27A | 109.0 | C55—C56—H56A | 108.8 |
C26—C27—H27B | 109.0 | C57—C56—H56A | 108.8 |
C28—C27—H27B | 109.0 | C55—C56—H56B | 108.8 |
H27A—C27—H27B | 107.8 | C57—C56—H56B | 108.8 |
C29—C28—C27 | 113.5 (3) | H56A—C56—H56B | 107.7 |
C29—C28—H28A | 108.9 | C56—C57—H57A | 109.5 |
C27—C28—H28A | 108.9 | C56—C57—H57B | 109.5 |
C29—C28—H28B | 108.9 | H57A—C57—H57B | 109.5 |
C27—C28—H28B | 108.9 | C56—C57—H57C | 109.5 |
H28A—C28—H28B | 107.7 | H57A—C57—H57C | 109.5 |
C30—C29—C28 | 125.3 (4) | H57B—C57—H57C | 109.5 |
C1—C2—C3—C4 | 179.8 (3) | C26—C27—C28—C29 | 176.2 (3) |
C2—C3—C4—C5 | −180.0 (3) | C27—C28—C29—C30 | 125.6 (4) |
C3—C4—C5—C6 | 179.7 (3) | C28—C29—C30—C31 | 179.9 (4) |
C4—C5—C6—C7 | 178.3 (3) | C29—C30—C31—C32 | −125.1 (4) |
C5—C6—C7—C8 | 179.6 (3) | C30—C31—C32—C33 | −176.6 (3) |
C6—C7—C8—C9 | 178.9 (3) | C31—C32—C33—C34 | −179.8 (3) |
C7—C8—C9—C10 | 122.9 (4) | C32—C33—C34—C35 | −178.7 (3) |
C8—C9—C10—C11 | 179.4 (3) | C33—C34—C35—C36 | −178.8 (3) |
C9—C10—C11—C12 | −121.3 (4) | C34—C35—C36—C37 | −179.0 (3) |
C10—C11—C12—C13 | −178.3 (3) | C35—C36—C37—C38 | −178.0 (3) |
C11—C12—C13—C14 | −179.5 (3) | C40—O5—C39—C19 | 173.8 (2) |
C12—C13—C14—C15 | −178.9 (3) | O2—C19—C39—O5 | −67.5 (3) |
C13—C14—C15—C16 | −177.4 (3) | C20—C19—C39—O5 | 49.2 (3) |
C14—C15—C16—C17 | −176.3 (3) | C39—O5—C40—O6 | −0.5 (4) |
C15—C16—C17—C18 | −172.7 (3) | C39—O5—C40—C41 | −179.5 (2) |
C16—C17—C18—O1 | 24.6 (5) | O6—C40—C41—C42 | 124.4 (4) |
C16—C17—C18—O2 | −159.0 (3) | O5—C40—C41—C42 | −56.6 (4) |
O1—C18—O2—C19 | −3.9 (4) | C40—C41—C42—C43 | −64.1 (4) |
C17—C18—O2—C19 | 179.7 (2) | C41—C42—C43—C44 | −177.5 (3) |
C18—O2—C19—C39 | −83.6 (3) | C42—C43—C44—C45 | 177.6 (3) |
C18—O2—C19—C20 | 153.3 (3) | C43—C44—C45—C46 | −179.1 (3) |
C21—O3—C20—C19 | −147.3 (3) | C44—C45—C46—C47 | 179.6 (3) |
O2—C19—C20—O3 | 177.1 (2) | C45—C46—C47—C48 | 176.5 (3) |
C39—C19—C20—O3 | 55.9 (3) | C46—C47—C48—C49 | 125.7 (4) |
C20—O3—C21—O4 | −5.1 (5) | C47—C48—C49—C50 | −179.5 (4) |
C20—O3—C21—C22 | 174.0 (3) | C48—C49—C50—C51 | −127.6 (4) |
O4—C21—C22—C23 | −27.4 (5) | C49—C50—C51—C52 | −177.3 (3) |
O3—C21—C22—C23 | 153.6 (3) | C50—C51—C52—C53 | −179.4 (3) |
C21—C22—C23—C24 | 178.2 (3) | C51—C52—C53—C54 | −179.6 (3) |
C22—C23—C24—C25 | 176.5 (3) | C52—C53—C54—C55 | −179.0 (3) |
C23—C24—C25—C26 | 178.7 (3) | C53—C54—C55—C56 | 179.3 (3) |
C24—C25—C26—C27 | 178.6 (3) | C54—C55—C56—C57 | −179.0 (3) |
C25—C26—C27—C28 | 178.8 (3) |