Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806000328/ww6454sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806000328/ww6454Isup2.hkl |
CCDC reference: 298571
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.004 Å
- R factor = 0.043
- wR factor = 0.103
- Data-to-parameter ratio = 8.5
checkCIF/PLATON results
No syntax errors found
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.778 1.000 Tmin(prime) and Tmax expected: 0.948 0.984 RR(prime) = 0.807 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.81 PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.98 PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 2.72 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C23 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C25 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 4
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.00 From the CIF: _reflns_number_total 5153 Count of symmetry unique reflns 5192 Completeness (_total/calc) 99.25% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present no
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
C24H28O9 | F(000) = 976 |
Mr = 460.46 | Dx = 1.347 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2yb | Cell parameters from 4846 reflections |
a = 13.4851 (13) Å | θ = 4.5–47.6° |
b = 12.7578 (12) Å | µ = 0.10 mm−1 |
c = 13.6537 (13) Å | T = 293 K |
β = 104.796 (2)° | Plate, colourless |
V = 2271.1 (4) Å3 | 0.50 × 0.49 × 0.16 mm |
Z = 4 |
Bruker SMART CCD area-detector diffractometer | 5153 independent reflections |
Radiation source: fine-focus sealed tube | 3988 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.092 |
φ and ω scans | θmax = 27.0°, θmin = 1.9° |
Absorption correction: multi-scan (SADABS; Bruker, 1999) | h = −17→16 |
Tmin = 0.778, Tmax = 1.000 | k = −16→16 |
13256 measured reflections | l = −8→17 |
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)] = 0.044 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.103 | H-atom parameters constrained |
S = 0.93 | w = 1/[σ2(Fo2) + (0.0484P)2] where P = (Fo2 + 2Fc2)/3 |
5153 reflections | (Δ/σ)max = 0.050 |
603 parameters | Δρmax = 0.16 e Å−3 |
1 restraint | Δρmin = −0.21 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 > 2σ(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 | ||
O1 | 0.5230 (2) | 0.0194 (2) | 0.1343 (2) | 0.0773 (7) | |
O2 | 0.4804 (3) | −0.0428 (2) | −0.0741 (3) | 0.1005 (10) | |
O3 | 0.41617 (14) | 0.21791 (17) | 0.03507 (14) | 0.0514 (5) | |
O4 | 0.51939 (18) | 0.2551 (2) | 0.18735 (16) | 0.0658 (6) | |
O5 | 0.68963 (14) | 0.31886 (15) | −0.03952 (13) | 0.0436 (4) | |
O6 | 0.7613 (3) | 0.3904 (3) | −0.1538 (2) | 0.1185 (13) | |
O7 | 0.9210 (2) | 0.0450 (3) | −0.11726 (19) | 0.0915 (9) | |
O9 | 0.8282 (2) | −0.0345 (2) | −0.0272 (2) | 0.0783 (8) | |
O16 | 0.67477 (16) | 0.0928 (2) | 0.17131 (15) | 0.0628 (6) | |
O1' | −0.07463 (16) | 0.4541 (2) | 0.45155 (18) | 0.0647 (6) | |
O2' | −0.09419 (17) | 0.50388 (19) | 0.24111 (17) | 0.0615 (6) | |
O3' | −0.12108 (13) | 0.67906 (16) | 0.44771 (14) | 0.0473 (5) | |
O4' | −0.0477 (2) | 0.6348 (3) | 0.60807 (17) | 0.0969 (11) | |
O5' | 0.19787 (13) | 0.74664 (15) | 0.48179 (13) | 0.0438 (4) | |
O6' | 0.3042 (2) | 0.8619 (3) | 0.4408 (2) | 0.0938 (9) | |
O7' | 0.3685 (2) | 0.5239 (3) | 0.2671 (2) | 0.0933 (9) | |
O9' | 0.24116 (19) | 0.4271 (2) | 0.29275 (17) | 0.0685 (6) | |
O16' | 0.08955 (14) | 0.46006 (17) | 0.52316 (15) | 0.0516 (5) | |
C1 | 0.4839 (3) | 0.0513 (3) | −0.0746 (3) | 0.0615 (9) | |
C2 | 0.4208 (2) | 0.1232 (3) | −0.1511 (2) | 0.0603 (9) | |
C3 | 0.4590 (2) | 0.2314 (3) | −0.1234 (2) | 0.0504 (7) | |
H3 | 0.4029 | 0.2824 | −0.1411 | 0.060* | |
C4 | 0.5456 (2) | 0.2602 (3) | −0.1733 (2) | 0.0505 (7) | |
H4A | 0.5343 | 0.2238 | −0.2376 | 0.061* | |
H4B | 0.5429 | 0.3348 | −0.1871 | 0.061* | |
C5 | 0.6518 (2) | 0.2325 (2) | −0.10825 (18) | 0.0429 (6) | |
H5 | 0.6978 | 0.2240 | −0.1529 | 0.051* | |
C6 | 0.65664 (19) | 0.1326 (2) | −0.0459 (2) | 0.0424 (6) | |
H6 | 0.6510 | 0.0748 | −0.0943 | 0.051* | |
C7 | 0.7570 (2) | 0.1121 (2) | 0.0364 (2) | 0.0457 (7) | |
C8 | 0.7726 (3) | −0.0076 (3) | 0.0459 (3) | 0.0651 (9) | |
H8A | 0.8115 | −0.0263 | 0.1137 | 0.078* | |
H8B | 0.7071 | −0.0436 | 0.0312 | 0.078* | |
C10 | 0.8726 (3) | 0.0495 (3) | −0.0545 (2) | 0.0644 (9) | |
C11 | 0.8538 (2) | 0.1447 (3) | 0.0040 (2) | 0.0531 (7) | |
H11 | 0.8375 | 0.2047 | −0.0421 | 0.064* | |
C12 | 0.9525 (2) | 0.1706 (3) | 0.0911 (2) | 0.0659 (10) | |
C13 | 0.9201 (2) | 0.2305 (3) | 0.1752 (2) | 0.0671 (9) | |
H13A | 0.9803 | 0.2446 | 0.2300 | 0.080* | |
H13B | 0.8906 | 0.2973 | 0.1489 | 0.080* | |
C14 | 0.8423 (2) | 0.1697 (3) | 0.2166 (2) | 0.0646 (9) | |
H14A | 0.8688 | 0.1005 | 0.2382 | 0.077* | |
H14B | 0.8296 | 0.2061 | 0.2746 | 0.077* | |
C15 | 0.7450 (2) | 0.1604 (3) | 0.13536 (19) | 0.0492 (7) | |
H15 | 0.7141 | 0.2301 | 0.1211 | 0.059* | |
C17 | 0.5833 (2) | 0.0729 (2) | 0.1067 (2) | 0.0549 (8) | |
C18 | 0.5608 (2) | 0.1201 (2) | 0.0010 (2) | 0.0450 (6) | |
C19 | 0.5026 (2) | 0.2255 (2) | −0.0090 (2) | 0.0412 (6) | |
H19 | 0.5477 | 0.2847 | 0.0179 | 0.049* | |
C20 | 0.3471 (3) | 0.0878 (5) | −0.2280 (3) | 0.1017 (17) | |
H20A | 0.3339 | 0.0163 | −0.2350 | 0.122* | |
H20B | 0.3087 | 0.1345 | −0.2750 | 0.122* | |
C21 | 1.0149 (3) | 0.0731 (4) | 0.1349 (3) | 0.0911 (14) | |
H21A | 1.0352 | 0.0365 | 0.0818 | 0.127* | |
H21B | 0.9736 | 0.0277 | 0.1645 | 0.127* | |
H21C | 1.0748 | 0.0940 | 0.1859 | 0.127* | |
C22 | 1.0205 (3) | 0.2419 (5) | 0.0460 (3) | 0.0947 (15) | |
H22A | 0.9841 | 0.3053 | 0.0218 | 0.122* | |
H22B | 1.0382 | 0.2066 | −0.0093 | 0.122* | |
H22C | 1.0819 | 0.2585 | 0.0971 | 0.122* | |
C23 | 0.4351 (2) | 0.2381 (3) | 0.1353 (2) | 0.0524 (7) | |
C24 | 0.3398 (3) | 0.2353 (5) | 0.1714 (3) | 0.0973 (15) | |
H24A | 0.3518 | 0.2703 | 0.2356 | 0.126* | |
H24B | 0.3208 | 0.1638 | 0.1788 | 0.126* | |
H24C | 0.2855 | 0.2701 | 0.1231 | 0.126* | |
C25 | 0.7389 (3) | 0.3963 (3) | −0.0739 (3) | 0.0611 (8) | |
C26 | 0.7633 (3) | 0.4840 (3) | −0.0019 (3) | 0.0723 (10) | |
H26A | 0.7666 | 0.4591 | 0.0651 | 0.109* | |
H26B | 0.7110 | 0.5367 | −0.0204 | 0.109* | |
H26C | 0.8284 | 0.5136 | −0.0036 | 0.109* | |
C1' | −0.0637 (2) | 0.5823 (2) | 0.2863 (2) | 0.0433 (6) | |
C2' | −0.0895 (2) | 0.6926 (2) | 0.2532 (2) | 0.0450 (6) | |
C3' | −0.0350 (2) | 0.7640 (2) | 0.3375 (2) | 0.0437 (6) | |
H3' | −0.0773 | 0.8252 | 0.3426 | 0.052* | |
C4' | 0.0717 (2) | 0.7980 (2) | 0.3272 (2) | 0.0473 (7) | |
H4'1 | 0.0691 | 0.8053 | 0.2559 | 0.057* | |
H4'2 | 0.0880 | 0.8661 | 0.3587 | 0.057* | |
C5' | 0.1572 (2) | 0.7213 (2) | 0.3751 (2) | 0.0414 (6) | |
H5' | 0.2125 | 0.7291 | 0.3411 | 0.050* | |
C6' | 0.12280 (19) | 0.6067 (2) | 0.36663 (19) | 0.0370 (5) | |
H6' | 0.1119 | 0.5886 | 0.2949 | 0.044* | |
C7' | 0.20036 (19) | 0.5253 (2) | 0.42501 (19) | 0.0369 (6) | |
C8' | 0.1799 (2) | 0.4222 (2) | 0.3655 (2) | 0.0515 (7) | |
H8'1 | 0.2001 | 0.3628 | 0.4105 | 0.062* | |
H8'2 | 0.1077 | 0.4156 | 0.3313 | 0.062* | |
C10' | 0.3136 (3) | 0.5025 (3) | 0.3201 (2) | 0.0616 (9) | |
C11' | 0.31215 (19) | 0.5482 (2) | 0.4211 (2) | 0.0462 (7) | |
H11' | 0.3221 | 0.6242 | 0.4194 | 0.055* | |
C12' | 0.3999 (2) | 0.4999 (3) | 0.5057 (2) | 0.0529 (7) | |
C13' | 0.3711 (2) | 0.5064 (3) | 0.6072 (2) | 0.0564 (7) | |
H13C | 0.4242 | 0.4727 | 0.6591 | 0.068* | |
H13D | 0.3682 | 0.5795 | 0.6258 | 0.068* | |
C14' | 0.2690 (2) | 0.4551 (3) | 0.6041 (2) | 0.0502 (7) | |
H14C | 0.2696 | 0.3828 | 0.5822 | 0.060* | |
H14D | 0.2569 | 0.4558 | 0.6711 | 0.060* | |
C15' | 0.18564 (19) | 0.5149 (2) | 0.53118 (19) | 0.0413 (6) | |
H15' | 0.1807 | 0.5851 | 0.5586 | 0.050* | |
C17' | 0.0055 (2) | 0.4964 (2) | 0.4565 (2) | 0.0469 (7) | |
C18' | 0.01451 (18) | 0.5898 (2) | 0.39108 (19) | 0.0381 (6) | |
C19' | −0.02093 (19) | 0.6941 (2) | 0.4304 (2) | 0.0410 (6) | |
H19' | 0.0291 | 0.7220 | 0.4898 | 0.049* | |
C20' | −0.1498 (3) | 0.7173 (3) | 0.1652 (2) | 0.0698 (9) | |
H20C | −0.1791 | 0.6648 | 0.1197 | 0.084* | |
H20D | −0.1636 | 0.7873 | 0.1481 | 0.084* | |
C21' | 0.4264 (3) | 0.3868 (3) | 0.4855 (3) | 0.0698 (10) | |
H21D | 0.4473 | 0.3836 | 0.4235 | 0.105* | |
H21E | 0.3672 | 0.3432 | 0.4801 | 0.105* | |
H21F | 0.4813 | 0.3625 | 0.5404 | 0.105* | |
C22' | 0.4967 (3) | 0.5661 (4) | 0.5124 (4) | 0.0846 (12) | |
H22D | 0.5519 | 0.5396 | 0.5657 | 0.127* | |
H22E | 0.4833 | 0.6377 | 0.5265 | 0.127* | |
H22F | 0.5155 | 0.5623 | 0.4492 | 0.127* | |
C23' | −0.1232 (2) | 0.6464 (3) | 0.5414 (3) | 0.0617 (9) | |
C24' | −0.2295 (3) | 0.6246 (4) | 0.5484 (3) | 0.0773 (11) | |
H24D | −0.2343 | 0.6378 | 0.6163 | 0.116* | |
H24E | −0.2462 | 0.5527 | 0.5313 | 0.116* | |
H24F | −0.2766 | 0.6693 | 0.5023 | 0.116* | |
C25' | 0.2720 (2) | 0.8199 (3) | 0.5043 (3) | 0.0536 (7) | |
C26' | 0.3037 (2) | 0.8418 (3) | 0.6141 (3) | 0.0689 (9) | |
H26D | 0.3516 | 0.8991 | 0.6267 | 0.103* | |
H26E | 0.3357 | 0.7807 | 0.6495 | 0.103* | |
H26F | 0.2446 | 0.8601 | 0.6375 | 0.103* |
U11 | U22 | U33 | U12 | U13 | U23 | |
O1 | 0.0866 (16) | 0.0635 (15) | 0.0985 (18) | −0.0066 (14) | 0.0542 (15) | 0.0199 (14) |
O2 | 0.125 (2) | 0.0476 (16) | 0.145 (3) | −0.0316 (16) | 0.064 (2) | −0.0318 (17) |
O3 | 0.0422 (9) | 0.0590 (12) | 0.0562 (11) | −0.0024 (9) | 0.0180 (9) | −0.0172 (10) |
O4 | 0.0694 (14) | 0.0766 (16) | 0.0504 (12) | −0.0078 (13) | 0.0133 (11) | −0.0096 (12) |
O5 | 0.0493 (10) | 0.0420 (10) | 0.0411 (10) | −0.0057 (9) | 0.0146 (8) | 0.0029 (8) |
O6 | 0.181 (3) | 0.117 (3) | 0.0814 (19) | −0.082 (3) | 0.076 (2) | −0.0192 (18) |
O7 | 0.0773 (15) | 0.141 (3) | 0.0667 (15) | 0.0241 (18) | 0.0380 (13) | −0.0107 (16) |
O9 | 0.0860 (17) | 0.0728 (17) | 0.0872 (17) | 0.0303 (15) | 0.0424 (15) | −0.0015 (14) |
O16 | 0.0608 (12) | 0.0808 (16) | 0.0560 (12) | 0.0180 (12) | 0.0318 (10) | 0.0277 (12) |
O1' | 0.0432 (11) | 0.0642 (14) | 0.0881 (16) | −0.0106 (11) | 0.0193 (11) | 0.0190 (13) |
O2' | 0.0631 (13) | 0.0494 (12) | 0.0628 (13) | −0.0046 (11) | −0.0010 (10) | −0.0175 (11) |
O3' | 0.0330 (9) | 0.0578 (12) | 0.0535 (11) | −0.0004 (9) | 0.0154 (8) | −0.0094 (9) |
O4' | 0.0714 (15) | 0.176 (3) | 0.0447 (13) | −0.036 (2) | 0.0171 (12) | −0.0032 (16) |
O5' | 0.0405 (9) | 0.0410 (10) | 0.0503 (10) | −0.0078 (9) | 0.0124 (8) | −0.0059 (8) |
O6' | 0.0921 (18) | 0.100 (2) | 0.0873 (18) | −0.0562 (17) | 0.0190 (15) | 0.0038 (16) |
O7' | 0.0921 (17) | 0.123 (3) | 0.0840 (17) | 0.0273 (19) | 0.0580 (15) | 0.0275 (18) |
O9' | 0.0801 (15) | 0.0719 (16) | 0.0594 (13) | 0.0173 (14) | 0.0286 (11) | −0.0140 (12) |
O16' | 0.0398 (10) | 0.0575 (12) | 0.0609 (12) | −0.0005 (9) | 0.0188 (9) | 0.0222 (10) |
C1 | 0.068 (2) | 0.0464 (19) | 0.082 (2) | −0.0164 (16) | 0.0408 (19) | −0.0224 (17) |
C2 | 0.0539 (17) | 0.073 (2) | 0.0580 (18) | −0.0203 (17) | 0.0213 (15) | −0.0269 (17) |
C3 | 0.0433 (14) | 0.0580 (18) | 0.0469 (15) | 0.0074 (14) | 0.0059 (12) | −0.0082 (14) |
C4 | 0.0554 (16) | 0.0531 (18) | 0.0390 (14) | 0.0033 (14) | 0.0047 (12) | 0.0019 (13) |
C5 | 0.0482 (14) | 0.0464 (15) | 0.0352 (13) | −0.0018 (13) | 0.0129 (11) | −0.0002 (12) |
C6 | 0.0474 (14) | 0.0408 (14) | 0.0423 (14) | 0.0036 (12) | 0.0175 (12) | −0.0018 (12) |
C7 | 0.0499 (15) | 0.0500 (17) | 0.0426 (14) | 0.0093 (13) | 0.0216 (12) | 0.0092 (13) |
C8 | 0.076 (2) | 0.057 (2) | 0.070 (2) | 0.0280 (18) | 0.0331 (18) | 0.0153 (17) |
C10 | 0.0570 (18) | 0.087 (3) | 0.0529 (18) | 0.0207 (19) | 0.0219 (16) | −0.0002 (18) |
C11 | 0.0487 (15) | 0.070 (2) | 0.0461 (16) | 0.0096 (16) | 0.0220 (13) | 0.0042 (15) |
C12 | 0.0452 (15) | 0.097 (3) | 0.0580 (19) | 0.0110 (18) | 0.0189 (14) | 0.0031 (18) |
C13 | 0.0522 (16) | 0.093 (3) | 0.0538 (17) | 0.0124 (19) | 0.0087 (14) | −0.0091 (19) |
C14 | 0.0608 (18) | 0.095 (3) | 0.0409 (15) | 0.0242 (19) | 0.0182 (14) | 0.0056 (17) |
C15 | 0.0512 (15) | 0.0615 (19) | 0.0403 (15) | 0.0151 (15) | 0.0218 (13) | 0.0104 (14) |
C17 | 0.0638 (19) | 0.0443 (17) | 0.0671 (19) | 0.0063 (15) | 0.0362 (17) | 0.0108 (15) |
C18 | 0.0487 (15) | 0.0389 (15) | 0.0538 (16) | −0.0009 (12) | 0.0248 (13) | −0.0002 (13) |
C19 | 0.0385 (12) | 0.0391 (15) | 0.0470 (14) | −0.0017 (12) | 0.0126 (11) | −0.0070 (12) |
C20 | 0.082 (3) | 0.141 (5) | 0.085 (3) | −0.041 (3) | 0.027 (2) | −0.057 (3) |
C21 | 0.066 (2) | 0.132 (4) | 0.075 (2) | 0.049 (3) | 0.0165 (18) | 0.010 (3) |
C22 | 0.0516 (18) | 0.148 (5) | 0.087 (3) | −0.017 (3) | 0.0234 (19) | 0.002 (3) |
C23 | 0.0565 (17) | 0.0501 (17) | 0.0534 (17) | 0.0017 (15) | 0.0189 (15) | −0.0126 (14) |
C24 | 0.078 (2) | 0.135 (4) | 0.096 (3) | 0.000 (3) | 0.052 (2) | −0.037 (3) |
C25 | 0.0668 (19) | 0.059 (2) | 0.0596 (19) | −0.0196 (17) | 0.0202 (16) | 0.0044 (16) |
C26 | 0.075 (2) | 0.056 (2) | 0.087 (2) | −0.0211 (18) | 0.024 (2) | −0.0038 (18) |
C1' | 0.0389 (13) | 0.0465 (16) | 0.0442 (14) | −0.0013 (13) | 0.0101 (11) | −0.0093 (13) |
C2' | 0.0404 (14) | 0.0454 (16) | 0.0489 (16) | 0.0036 (12) | 0.0106 (12) | −0.0016 (13) |
C3' | 0.0409 (13) | 0.0384 (14) | 0.0510 (16) | 0.0071 (12) | 0.0101 (12) | −0.0043 (12) |
C4' | 0.0506 (15) | 0.0394 (15) | 0.0523 (16) | −0.0023 (13) | 0.0137 (13) | 0.0029 (13) |
C5' | 0.0444 (14) | 0.0386 (14) | 0.0450 (14) | −0.0003 (12) | 0.0181 (12) | 0.0016 (12) |
C6' | 0.0390 (12) | 0.0375 (14) | 0.0369 (12) | −0.0017 (11) | 0.0144 (10) | −0.0022 (11) |
C7' | 0.0357 (12) | 0.0367 (14) | 0.0398 (13) | 0.0005 (11) | 0.0125 (11) | −0.0004 (11) |
C8' | 0.0541 (16) | 0.0425 (16) | 0.0584 (17) | 0.0064 (14) | 0.0152 (14) | −0.0028 (14) |
C10' | 0.0574 (17) | 0.075 (2) | 0.0609 (19) | 0.0246 (19) | 0.0310 (16) | 0.0160 (18) |
C11' | 0.0419 (14) | 0.0435 (15) | 0.0608 (17) | 0.0044 (12) | 0.0267 (13) | 0.0049 (13) |
C12' | 0.0370 (14) | 0.0567 (18) | 0.0675 (19) | 0.0012 (14) | 0.0179 (13) | 0.0012 (16) |
C13' | 0.0439 (14) | 0.069 (2) | 0.0515 (16) | 0.0029 (16) | 0.0031 (13) | 0.0045 (16) |
C14' | 0.0503 (15) | 0.0573 (18) | 0.0451 (15) | 0.0084 (14) | 0.0162 (13) | 0.0095 (14) |
C15' | 0.0410 (13) | 0.0435 (15) | 0.0433 (14) | −0.0020 (12) | 0.0181 (12) | 0.0034 (12) |
C17' | 0.0425 (14) | 0.0475 (16) | 0.0545 (16) | −0.0025 (13) | 0.0195 (13) | 0.0062 (14) |
C18' | 0.0327 (12) | 0.0391 (14) | 0.0439 (13) | −0.0022 (11) | 0.0123 (11) | −0.0033 (12) |
C19' | 0.0342 (12) | 0.0464 (15) | 0.0437 (14) | −0.0037 (11) | 0.0123 (11) | −0.0084 (12) |
C20' | 0.080 (2) | 0.055 (2) | 0.062 (2) | 0.0000 (18) | −0.0037 (17) | 0.0037 (17) |
C21' | 0.0527 (18) | 0.067 (2) | 0.091 (2) | 0.0187 (17) | 0.0212 (17) | 0.0061 (19) |
C22' | 0.0385 (15) | 0.097 (3) | 0.118 (3) | −0.0081 (18) | 0.0192 (17) | 0.015 (3) |
C23' | 0.0515 (17) | 0.081 (2) | 0.059 (2) | −0.0119 (17) | 0.0246 (16) | −0.0184 (17) |
C24' | 0.0628 (19) | 0.076 (3) | 0.108 (3) | −0.0101 (19) | 0.050 (2) | −0.010 (2) |
C25' | 0.0424 (15) | 0.0428 (16) | 0.074 (2) | −0.0087 (14) | 0.0107 (15) | −0.0029 (16) |
C26' | 0.0530 (18) | 0.066 (2) | 0.078 (2) | −0.0104 (17) | −0.0011 (16) | −0.0148 (18) |
O1—C17 | 1.193 (3) | C21—H21B | 0.9600 |
O2—C1 | 1.202 (4) | C21—H21C | 0.9600 |
O3—C23 | 1.351 (3) | C22—H22A | 0.9600 |
O3—C19 | 1.445 (3) | C22—H22B | 0.9600 |
O4—C23 | 1.196 (4) | C22—H22C | 0.9600 |
O5—C25 | 1.341 (4) | C23—C24 | 1.490 (5) |
O5—C5 | 1.453 (3) | C24—H24A | 0.9600 |
O6—C25 | 1.205 (4) | C24—H24B | 0.9600 |
O7—C10 | 1.204 (4) | C24—H24C | 0.9600 |
O9—C10 | 1.326 (5) | C25—C26 | 1.470 (5) |
O9—C8 | 1.435 (4) | C26—H26A | 0.9600 |
O16—C17 | 1.344 (4) | C26—H26B | 0.9600 |
O16—C15 | 1.456 (4) | C26—H26C | 0.9600 |
O1'—C17' | 1.195 (3) | C1'—C2' | 1.491 (4) |
O2'—C1' | 1.192 (4) | C1'—C18' | 1.549 (4) |
O3'—C23' | 1.353 (4) | C2'—C20' | 1.306 (4) |
O3'—C19' | 1.442 (3) | C2'—C3' | 1.504 (4) |
O4'—C23' | 1.189 (4) | C3'—C19' | 1.523 (4) |
O5'—C25' | 1.345 (3) | C3'—C4' | 1.542 (4) |
O5'—C5' | 1.455 (3) | C3'—H3' | 0.9800 |
O6'—C25' | 1.192 (4) | C4'—C5' | 1.526 (4) |
O7'—C10' | 1.191 (4) | C4'—H4'1 | 0.9700 |
O9'—C10' | 1.354 (5) | C4'—H4'2 | 0.9700 |
O9'—C8' | 1.446 (4) | C5'—C6' | 1.529 (4) |
O16'—C17' | 1.342 (3) | C5'—H5' | 0.9800 |
O16'—C15' | 1.452 (3) | C6'—C7' | 1.543 (4) |
C1—C2 | 1.483 (5) | C6'—C18' | 1.594 (3) |
C1—C18 | 1.539 (4) | C6'—H6' | 0.9800 |
C2—C20 | 1.327 (5) | C7'—C15' | 1.518 (3) |
C2—C3 | 1.489 (5) | C7'—C8' | 1.534 (4) |
C3—C19 | 1.524 (4) | C7'—C11' | 1.550 (3) |
C3—C4 | 1.540 (4) | C8'—H8'1 | 0.9700 |
C3—H3 | 0.9800 | C8'—H8'2 | 0.9700 |
C4—C5 | 1.521 (4) | C10'—C11' | 1.502 (4) |
C4—H4A | 0.9700 | C11'—C12' | 1.555 (4) |
C4—H4B | 0.9700 | C11'—H11' | 0.9800 |
C5—C6 | 1.525 (4) | C12'—C21' | 1.528 (5) |
C5—H5 | 0.9800 | C12'—C13' | 1.534 (4) |
C6—C7 | 1.544 (4) | C12'—C22' | 1.538 (5) |
C6—C18 | 1.590 (4) | C13'—C14' | 1.515 (4) |
C6—H6 | 0.9800 | C13'—H13C | 0.9700 |
C7—C15 | 1.531 (4) | C13'—H13D | 0.9700 |
C7—C11 | 1.538 (4) | C14'—C15' | 1.505 (4) |
C7—C8 | 1.543 (5) | C14'—H14C | 0.9700 |
C8—H8A | 0.9700 | C14'—H14D | 0.9700 |
C8—H8B | 0.9700 | C15'—H15' | 0.9800 |
C10—C11 | 1.510 (5) | C17'—C18' | 1.513 (4) |
C11—C12 | 1.577 (5) | C18'—C19' | 1.554 (4) |
C11—H11 | 0.9800 | C19'—H19' | 0.9800 |
C12—C22 | 1.528 (6) | C20'—H20C | 0.9300 |
C12—C13 | 1.533 (5) | C20'—H20D | 0.9300 |
C12—C21 | 1.535 (6) | C21'—H21D | 0.9600 |
C13—C14 | 1.524 (5) | C21'—H21E | 0.9600 |
C13—H13A | 0.9700 | C21'—H21F | 0.9600 |
C13—H13B | 0.9700 | C22'—H22D | 0.9600 |
C14—C15 | 1.491 (4) | C22'—H22E | 0.9600 |
C14—H14A | 0.9700 | C22'—H22F | 0.9600 |
C14—H14B | 0.9700 | C23'—C24' | 1.486 (4) |
C15—H15 | 0.9800 | C24'—H24D | 0.9600 |
C17—C18 | 1.521 (4) | C24'—H24E | 0.9600 |
C18—C19 | 1.545 (4) | C24'—H24F | 0.9600 |
C19—H19 | 0.9800 | C25'—C26' | 1.477 (5) |
C20—H20A | 0.9300 | C26'—H26D | 0.9600 |
C20—H20B | 0.9300 | C26'—H26E | 0.9600 |
C21—H21A | 0.9600 | C26'—H26F | 0.9600 |
C23—O3—C19 | 116.4 (2) | H26A—C26—H26B | 109.5 |
C25—O5—C5 | 117.1 (2) | C25—C26—H26C | 109.5 |
C10—O9—C8 | 110.8 (3) | H26A—C26—H26C | 109.5 |
C17—O16—C15 | 117.2 (2) | H26B—C26—H26C | 109.5 |
C23'—O3'—C19' | 116.3 (2) | O2'—C1'—C2' | 127.8 (3) |
C25'—O5'—C5' | 116.8 (2) | O2'—C1'—C18' | 126.4 (3) |
C10'—O9'—C8' | 109.8 (2) | C2'—C1'—C18' | 105.8 (2) |
C17'—O16'—C15' | 117.9 (2) | C20'—C2'—C1' | 123.3 (3) |
O2—C1—C2 | 127.3 (4) | C20'—C2'—C3' | 128.7 (3) |
O2—C1—C18 | 125.9 (4) | C1'—C2'—C3' | 108.0 (2) |
C2—C1—C18 | 106.7 (3) | C2'—C3'—C19' | 102.4 (2) |
C20—C2—C1 | 121.7 (4) | C2'—C3'—C4' | 112.7 (2) |
C20—C2—C3 | 131.1 (4) | C19'—C3'—C4' | 108.7 (2) |
C1—C2—C3 | 107.1 (2) | C2'—C3'—H3' | 110.9 |
C2—C3—C19 | 103.5 (3) | C19'—C3'—H3' | 110.9 |
C2—C3—C4 | 111.1 (3) | C4'—C3'—H3' | 110.9 |
C19—C3—C4 | 109.1 (2) | C5'—C4'—C3' | 113.6 (2) |
C2—C3—H3 | 111.0 | C5'—C4'—H4'1 | 108.8 |
C19—C3—H3 | 111.0 | C3'—C4'—H4'1 | 108.8 |
C4—C3—H3 | 111.0 | C5'—C4'—H4'2 | 108.8 |
C5—C4—C3 | 113.2 (2) | C3'—C4'—H4'2 | 108.8 |
C5—C4—H4A | 108.9 | H4'1—C4'—H4'2 | 107.7 |
C3—C4—H4A | 108.9 | O5'—C5'—C4' | 109.7 (2) |
C5—C4—H4B | 108.9 | O5'—C5'—C6' | 108.6 (2) |
C3—C4—H4B | 108.9 | C4'—C5'—C6' | 113.5 (2) |
H4A—C4—H4B | 107.8 | O5'—C5'—H5' | 108.3 |
O5—C5—C4 | 108.9 (2) | C4'—C5'—H5' | 108.3 |
O5—C5—C6 | 108.38 (19) | C6'—C5'—H5' | 108.3 |
C4—C5—C6 | 114.8 (2) | C5'—C6'—C7' | 116.8 (2) |
O5—C5—H5 | 108.2 | C5'—C6'—C18' | 112.9 (2) |
C4—C5—H5 | 108.2 | C7'—C6'—C18' | 109.7 (2) |
C6—C5—H5 | 108.2 | C5'—C6'—H6' | 105.4 |
C5—C6—C7 | 116.9 (2) | C7'—C6'—H6' | 105.4 |
C5—C6—C18 | 112.7 (2) | C18'—C6'—H6' | 105.4 |
C7—C6—C18 | 110.0 (2) | C15'—C7'—C8' | 112.4 (2) |
C5—C6—H6 | 105.4 | C15'—C7'—C6' | 108.4 (2) |
C7—C6—H6 | 105.4 | C8'—C7'—C6' | 107.3 (2) |
C18—C6—H6 | 105.4 | C15'—C7'—C11' | 114.5 (2) |
C15—C7—C11 | 115.7 (3) | C8'—C7'—C11' | 100.8 (2) |
C15—C7—C8 | 111.6 (2) | C6'—C7'—C11' | 113.1 (2) |
C11—C7—C8 | 100.6 (2) | O9'—C8'—C7' | 105.7 (2) |
C15—C7—C6 | 107.7 (2) | O9'—C8'—H8'1 | 110.6 |
C11—C7—C6 | 113.3 (2) | C7'—C8'—H8'1 | 110.6 |
C8—C7—C6 | 107.7 (3) | O9'—C8'—H8'2 | 110.6 |
O9—C8—C7 | 105.2 (3) | C7'—C8'—H8'2 | 110.6 |
O9—C8—H8A | 110.7 | H8'1—C8'—H8'2 | 108.7 |
C7—C8—H8A | 110.7 | O7'—C10'—O9' | 120.8 (4) |
O9—C8—H8B | 110.7 | O7'—C10'—C11' | 128.7 (4) |
C7—C8—H8B | 110.7 | O9'—C10'—C11' | 110.6 (3) |
H8A—C8—H8B | 108.8 | C10'—C11'—C7' | 101.5 (2) |
O7—C10—O9 | 121.8 (4) | C10'—C11'—C12' | 110.1 (2) |
O7—C10—C11 | 127.5 (4) | C7'—C11'—C12' | 117.6 (2) |
O9—C10—C11 | 110.6 (2) | C10'—C11'—H11' | 109.1 |
C10—C11—C7 | 101.8 (3) | C7'—C11'—H11' | 109.1 |
C10—C11—C12 | 110.1 (3) | C12'—C11'—H11' | 109.1 |
C7—C11—C12 | 117.0 (2) | C21'—C12'—C13' | 109.8 (3) |
C10—C11—H11 | 109.2 | C21'—C12'—C22' | 107.2 (3) |
C7—C11—H11 | 109.2 | C13'—C12'—C22' | 108.9 (3) |
C12—C11—H11 | 109.2 | C21'—C12'—C11' | 114.1 (3) |
C22—C12—C13 | 108.7 (4) | C13'—C12'—C11' | 109.2 (2) |
C22—C12—C21 | 108.3 (3) | C22'—C12'—C11' | 107.5 (3) |
C13—C12—C21 | 110.2 (3) | C14'—C13'—C12' | 112.9 (3) |
C22—C12—C11 | 107.4 (3) | C14'—C13'—H13C | 109.0 |
C13—C12—C11 | 108.8 (2) | C12'—C13'—H13C | 109.0 |
C21—C12—C11 | 113.4 (3) | C14'—C13'—H13D | 109.0 |
C14—C13—C12 | 112.3 (3) | C12'—C13'—H13D | 109.0 |
C14—C13—H13A | 109.2 | H13C—C13'—H13D | 107.8 |
C12—C13—H13A | 109.2 | C15'—C14'—C13' | 108.7 (2) |
C14—C13—H13B | 109.2 | C15'—C14'—H14C | 110.0 |
C12—C13—H13B | 109.2 | C13'—C14'—H14C | 110.0 |
H13A—C13—H13B | 107.9 | C15'—C14'—H14D | 110.0 |
C15—C14—C13 | 108.9 (2) | C13'—C14'—H14D | 110.0 |
C15—C14—H14A | 109.9 | H14C—C14'—H14D | 108.3 |
C13—C14—H14A | 109.9 | O16'—C15'—C14' | 107.9 (2) |
C15—C14—H14B | 109.9 | O16'—C15'—C7' | 107.6 (2) |
C13—C14—H14B | 109.9 | C14'—C15'—C7' | 114.7 (2) |
H14A—C14—H14B | 108.3 | O16'—C15'—H15' | 108.8 |
O16—C15—C14 | 108.7 (2) | C14'—C15'—H15' | 108.8 |
O16—C15—C7 | 106.5 (2) | C7'—C15'—H15' | 108.8 |
C14—C15—C7 | 114.7 (2) | O1'—C17'—O16' | 118.5 (3) |
O16—C15—H15 | 108.9 | O1'—C17'—C18' | 122.1 (3) |
C14—C15—H15 | 108.9 | O16'—C17'—C18' | 119.4 (2) |
C7—C15—H15 | 108.9 | C17'—C18'—C1' | 111.0 (2) |
O1—C17—O16 | 119.1 (3) | C17'—C18'—C19' | 113.1 (2) |
O1—C17—C18 | 122.6 (3) | C1'—C18'—C19' | 100.1 (2) |
O16—C17—C18 | 118.3 (2) | C17'—C18'—C6' | 116.5 (2) |
C17—C18—C1 | 110.4 (3) | C1'—C18'—C6' | 105.00 (19) |
C17—C18—C19 | 113.7 (2) | C19'—C18'—C6' | 109.6 (2) |
C1—C18—C19 | 101.3 (2) | O3'—C19'—C3' | 107.0 (2) |
C17—C18—C6 | 115.9 (2) | O3'—C19'—C18' | 109.1 (2) |
C1—C18—C6 | 105.4 (2) | C3'—C19'—C18' | 101.4 (2) |
C19—C18—C6 | 108.9 (2) | O3'—C19'—H19' | 112.9 |
O3—C19—C3 | 106.8 (2) | C3'—C19'—H19' | 112.9 |
O3—C19—C18 | 110.5 (2) | C18'—C19'—H19' | 112.9 |
C3—C19—C18 | 100.9 (2) | C2'—C20'—H20C | 120.0 |
O3—C19—H19 | 112.6 | C2'—C20'—H20D | 120.0 |
C3—C19—H19 | 112.6 | H20C—C20'—H20D | 120.0 |
C18—C19—H19 | 112.6 | C12'—C21'—H21D | 109.5 |
C2—C20—H20A | 120.0 | C12'—C21'—H21E | 109.5 |
C2—C20—H20B | 120.0 | H21D—C21'—H21E | 109.5 |
H20A—C20—H20B | 120.0 | C12'—C21'—H21F | 109.5 |
C12—C21—H21A | 109.5 | H21D—C21'—H21F | 109.5 |
C12—C21—H21B | 109.5 | H21E—C21'—H21F | 109.5 |
H21A—C21—H21B | 109.5 | C12'—C22'—H22D | 109.5 |
C12—C21—H21C | 109.5 | C12'—C22'—H22E | 109.5 |
H21A—C21—H21C | 109.5 | H22D—C22'—H22E | 109.5 |
H21B—C21—H21C | 109.5 | C12'—C22'—H22F | 109.5 |
C12—C22—H22A | 109.5 | H22D—C22'—H22F | 109.5 |
C12—C22—H22B | 109.5 | H22E—C22'—H22F | 109.5 |
H22A—C22—H22B | 109.5 | O4'—C23'—O3' | 122.8 (3) |
C12—C22—H22C | 109.5 | O4'—C23'—C24' | 125.3 (4) |
H22A—C22—H22C | 109.5 | O3'—C23'—C24' | 111.9 (3) |
H22B—C22—H22C | 109.5 | C23'—C24'—H24D | 109.5 |
O4—C23—O3 | 122.8 (3) | C23'—C24'—H24E | 109.5 |
O4—C23—C24 | 125.2 (3) | H24D—C24'—H24E | 109.5 |
O3—C23—C24 | 112.0 (3) | C23'—C24'—H24F | 109.5 |
C23—C24—H24A | 109.5 | H24D—C24'—H24F | 109.5 |
C23—C24—H24B | 109.5 | H24E—C24'—H24F | 109.5 |
H24A—C24—H24B | 109.5 | O6'—C25'—O5' | 122.2 (3) |
C23—C24—H24C | 109.5 | O6'—C25'—C26' | 126.0 (3) |
H24A—C24—H24C | 109.5 | O5'—C25'—C26' | 111.7 (3) |
H24B—C24—H24C | 109.5 | C25'—C26'—H26D | 109.5 |
O6—C25—O5 | 122.1 (3) | C25'—C26'—H26E | 109.5 |
O6—C25—C26 | 125.9 (3) | H26D—C26'—H26E | 109.5 |
O5—C25—C26 | 111.9 (3) | C25'—C26'—H26F | 109.5 |
C25—C26—H26A | 109.5 | H26D—C26'—H26F | 109.5 |
C25—C26—H26B | 109.5 | H26E—C26'—H26F | 109.5 |
O2—C1—C2—C20 | 3.4 (5) | O2'—C1'—C2'—C20' | −1.8 (5) |
C18—C1—C2—C20 | 179.5 (3) | C18'—C1'—C2'—C20' | 176.4 (3) |
O2—C1—C2—C3 | −175.5 (3) | O2'—C1'—C2'—C3' | 178.1 (3) |
C18—C1—C2—C3 | 0.6 (3) | C18'—C1'—C2'—C3' | −3.7 (3) |
C20—C2—C3—C19 | 153.6 (3) | C20'—C2'—C3'—C19' | 154.7 (3) |
C1—C2—C3—C19 | −27.7 (3) | C1'—C2'—C3'—C19' | −25.1 (3) |
C20—C2—C3—C4 | −89.5 (4) | C20'—C2'—C3'—C4' | −88.7 (4) |
C1—C2—C3—C4 | 89.3 (3) | C1'—C2'—C3'—C4' | 91.4 (3) |
C2—C3—C4—C5 | −90.3 (3) | C2'—C3'—C4'—C5' | −86.9 (3) |
C19—C3—C4—C5 | 23.2 (4) | C19'—C3'—C4'—C5' | 25.9 (3) |
C25—O5—C5—C4 | −86.8 (3) | C25'—O5'—C5'—C4' | −85.7 (3) |
C25—O5—C5—C6 | 147.7 (2) | C25'—O5'—C5'—C6' | 149.8 (2) |
C3—C4—C5—O5 | −86.6 (3) | C3'—C4'—C5'—O5' | −87.2 (3) |
C3—C4—C5—C6 | 35.1 (3) | C3'—C4'—C5'—C6' | 34.4 (3) |
O5—C5—C6—C7 | −46.6 (3) | O5'—C5'—C6'—C7' | −50.0 (3) |
C4—C5—C6—C7 | −168.5 (2) | C4'—C5'—C6'—C7' | −172.3 (2) |
O5—C5—C6—C18 | 82.2 (3) | O5'—C5'—C6'—C18' | 78.6 (2) |
C4—C5—C6—C18 | −39.8 (3) | C4'—C5'—C6'—C18' | −43.6 (3) |
C5—C6—C7—C15 | 91.4 (3) | C5'—C6'—C7'—C15' | 88.7 (3) |
C18—C6—C7—C15 | −38.7 (3) | C18'—C6'—C7'—C15' | −41.5 (3) |
C5—C6—C7—C11 | −37.9 (3) | C5'—C6'—C7'—C8' | −149.8 (2) |
C18—C6—C7—C11 | −168.0 (2) | C18'—C6'—C7'—C8' | 80.1 (2) |
C5—C6—C7—C8 | −148.2 (2) | C5'—C6'—C7'—C11' | −39.5 (3) |
C18—C6—C7—C8 | 81.7 (3) | C18'—C6'—C7'—C11' | −169.7 (2) |
C10—O9—C8—C7 | 18.5 (4) | C10'—O9'—C8'—C7' | 16.8 (3) |
C15—C7—C8—O9 | −153.9 (2) | C15'—C7'—C8'—O9' | −153.0 (2) |
C11—C7—C8—O9 | −30.6 (3) | C6'—C7'—C8'—O9' | 87.9 (3) |
C6—C7—C8—O9 | 88.2 (3) | C11'—C7'—C8'—O9' | −30.7 (3) |
C8—O9—C10—O7 | −178.0 (3) | C8'—O9'—C10'—O7' | −175.5 (3) |
C8—O9—C10—C11 | 2.5 (4) | C8'—O9'—C10'—C11' | 5.4 (3) |
O7—C10—C11—C7 | 158.4 (3) | O7'—C10'—C11'—C7' | 156.2 (3) |
O9—C10—C11—C7 | −22.2 (3) | O9'—C10'—C11'—C7' | −24.7 (3) |
O7—C10—C11—C12 | −76.8 (4) | O7'—C10'—C11'—C12' | −78.5 (4) |
O9—C10—C11—C12 | 102.5 (3) | O9'—C10'—C11'—C12' | 100.6 (3) |
C15—C7—C11—C10 | 151.0 (2) | C15'—C7'—C11'—C10' | 153.1 (2) |
C8—C7—C11—C10 | 30.7 (3) | C8'—C7'—C11'—C10' | 32.3 (3) |
C6—C7—C11—C10 | −83.9 (3) | C6'—C7'—C11'—C10' | −82.0 (3) |
C15—C7—C11—C12 | 31.0 (4) | C15'—C7'—C11'—C12' | 33.1 (4) |
C8—C7—C11—C12 | −89.3 (3) | C8'—C7'—C11'—C12' | −87.8 (3) |
C6—C7—C11—C12 | 156.1 (3) | C6'—C7'—C11'—C12' | 158.0 (2) |
C10—C11—C12—C22 | 87.7 (4) | C10'—C11'—C12'—C21' | −31.6 (3) |
C7—C11—C12—C22 | −156.8 (3) | C7'—C11'—C12'—C21' | 83.9 (3) |
C10—C11—C12—C13 | −154.9 (3) | C10'—C11'—C12'—C13' | −154.9 (3) |
C7—C11—C12—C13 | −39.3 (4) | C7'—C11'—C12'—C13' | −39.4 (4) |
C10—C11—C12—C21 | −31.9 (4) | C10'—C11'—C12'—C22' | 87.1 (4) |
C7—C11—C12—C21 | 83.6 (3) | C7'—C11'—C12'—C22' | −157.4 (3) |
C22—C12—C13—C14 | 173.6 (3) | C21'—C12'—C13'—C14' | −70.3 (3) |
C21—C12—C13—C14 | −67.9 (4) | C22'—C12'—C13'—C14' | 172.6 (3) |
C11—C12—C13—C14 | 57.0 (4) | C11'—C12'—C13'—C14' | 55.6 (4) |
C12—C13—C14—C15 | −66.1 (4) | C12'—C13'—C14'—C15' | −64.5 (3) |
C17—O16—C15—C14 | −178.3 (3) | C17'—O16'—C15'—C14' | −175.7 (2) |
C17—O16—C15—C7 | −54.2 (3) | C17'—O16'—C15'—C7' | −51.4 (3) |
C13—C14—C15—O16 | 173.9 (3) | C13'—C14'—C15'—O16' | 175.6 (2) |
C13—C14—C15—C7 | 54.9 (4) | C13'—C14'—C15'—C7' | 55.7 (3) |
C11—C7—C15—O16 | −159.0 (2) | C8'—C7'—C15'—O16' | −46.7 (3) |
C8—C7—C15—O16 | −44.8 (3) | C6'—C7'—C15'—O16' | 71.7 (3) |
C6—C7—C15—O16 | 73.1 (3) | C11'—C7'—C15'—O16' | −161.0 (2) |
C11—C7—C15—C14 | −38.7 (4) | C8'—C7'—C15'—C14' | 73.4 (3) |
C8—C7—C15—C14 | 75.4 (4) | C6'—C7'—C15'—C14' | −168.2 (2) |
C6—C7—C15—C14 | −166.6 (3) | C11'—C7'—C15'—C14' | −40.9 (3) |
C15—O16—C17—O1 | −178.6 (3) | C15'—O16'—C17'—O1' | −177.6 (3) |
C15—O16—C17—C18 | 1.3 (4) | C15'—O16'—C17'—C18' | 1.7 (4) |
O1—C17—C18—C1 | −27.7 (4) | O1'—C17'—C18'—C1' | −33.1 (4) |
O16—C17—C18—C1 | 152.4 (3) | O16'—C17'—C18'—C1' | 147.7 (2) |
O1—C17—C18—C19 | 85.3 (4) | O1'—C17'—C18'—C19' | 78.5 (4) |
O16—C17—C18—C19 | −94.5 (3) | O16'—C17'—C18'—C19' | −100.7 (3) |
O1—C17—C18—C6 | −147.3 (3) | O1'—C17'—C18'—C6' | −153.2 (3) |
O16—C17—C18—C6 | 32.8 (4) | O16'—C17'—C18'—C6' | 27.6 (4) |
O2—C1—C18—C17 | −37.0 (4) | O2'—C1'—C18'—C17' | −31.9 (4) |
C2—C1—C18—C17 | 146.9 (2) | C2'—C1'—C18'—C17' | 149.8 (2) |
O2—C1—C18—C19 | −157.7 (3) | O2'—C1'—C18'—C19' | −151.5 (3) |
C2—C1—C18—C19 | 26.1 (3) | C2'—C1'—C18'—C19' | 30.2 (2) |
O2—C1—C18—C6 | 88.8 (4) | O2'—C1'—C18'—C6' | 94.8 (3) |
C2—C1—C18—C6 | −87.3 (3) | C2'—C1'—C18'—C6' | −83.5 (2) |
C5—C6—C18—C17 | −142.9 (2) | C5'—C6'—C18'—C17' | −137.0 (2) |
C7—C6—C18—C17 | −10.6 (3) | C7'—C6'—C18'—C17' | −4.8 (3) |
C5—C6—C18—C1 | 94.8 (3) | C5'—C6'—C18'—C1' | 99.7 (2) |
C7—C6—C18—C1 | −133.0 (3) | C7'—C6'—C18'—C1' | −128.0 (2) |
C5—C6—C18—C19 | −13.2 (3) | C5'—C6'—C18'—C19' | −7.0 (3) |
C7—C6—C18—C19 | 119.0 (2) | C7'—C6'—C18'—C19' | 125.2 (2) |
C23—O3—C19—C3 | −163.9 (2) | C23'—O3'—C19'—C3' | −161.0 (2) |
C23—O3—C19—C18 | 87.2 (3) | C23'—O3'—C19'—C18' | 90.1 (3) |
C2—C3—C19—O3 | −72.1 (3) | C2'—C3'—C19'—O3' | −70.4 (2) |
C4—C3—C19—O3 | 169.6 (2) | C4'—C3'—C19'—O3' | 170.2 (2) |
C2—C3—C19—C18 | 43.4 (3) | C2'—C3'—C19'—C18' | 43.8 (2) |
C4—C3—C19—C18 | −74.9 (3) | C4'—C3'—C19'—C18' | −75.6 (2) |
C17—C18—C19—O3 | −47.8 (3) | C17'—C18'—C19'—O3' | −50.9 (3) |
C1—C18—C19—O3 | 70.6 (3) | C1'—C18'—C19'—O3' | 67.3 (2) |
C6—C18—C19—O3 | −178.67 (19) | C6'—C18'—C19'—O3' | 177.32 (19) |
C17—C18—C19—C3 | −160.5 (2) | C17'—C18'—C19'—C3' | −163.5 (2) |
C1—C18—C19—C3 | −42.1 (3) | C1'—C18'—C19'—C3' | −45.3 (2) |
C6—C18—C19—C3 | 68.6 (3) | C6'—C18'—C19'—C3' | 64.7 (2) |
C19—O3—C23—O4 | −4.5 (4) | C19'—O3'—C23'—O4' | 3.2 (5) |
C19—O3—C23—C24 | 176.1 (3) | C19'—O3'—C23'—C24' | −175.0 (3) |
C5—O5—C25—O6 | −7.9 (5) | C5'—O5'—C25'—O6' | −0.7 (4) |
C5—O5—C25—C26 | 173.8 (3) | C5'—O5'—C25'—C26' | 177.6 (3) |