| x | y | z | Uiso*/Ueq | ||
| C1 | 0.04347 (14) | 0.17522 (6) | 0.71287 (10) | 0.0266 (3) | |
| C2 | −0.11459 (14) | 0.17481 (6) | 0.67760 (11) | 0.0266 (3) | |
| H2 | −0.1799 | 0.1980 | 0.7185 | 0.032* | |
| C3 | −0.17430 (13) | 0.13932 (6) | 0.58033 (11) | 0.0265 (3) | |
| C4 | −0.07979 (14) | 0.10623 (6) | 0.51948 (11) | 0.0277 (3) | |
| H4 | −0.1225 | 0.0824 | 0.4535 | 0.033* | |
| C5 | 0.07839 (14) | 0.10787 (6) | 0.55512 (10) | 0.0261 (3) | |
| C6 | 0.14059 (14) | 0.14194 (6) | 0.65309 (11) | 0.0283 (3) | |
| H6 | 0.2480 | 0.1424 | 0.6787 | 0.034* | |
| C7 | 0.17340 (14) | 0.07642 (6) | 0.48619 (11) | 0.0288 (3) | |
| C8 | 0.24292 (14) | 0.05168 (7) | 0.42138 (11) | 0.0288 (3) | |
| C9 | 0.32492 (14) | 0.02180 (6) | 0.34289 (10) | 0.0262 (3) | |
| C10 | 0.24597 (14) | −0.01164 (7) | 0.24864 (11) | 0.0286 (3) | |
| H10 | 0.1377 | −0.0150 | 0.2371 | 0.034* | |
| C11 | 0.32439 (14) | −0.03986 (7) | 0.17214 (11) | 0.0303 (3) | |
| H11 | 0.2695 | −0.0621 | 0.1081 | 0.036* | |
| C12 | 0.48372 (14) | −0.03594 (6) | 0.18839 (10) | 0.0273 (3) | |
| C13 | 0.56275 (14) | −0.00329 (6) | 0.28348 (11) | 0.0297 (3) | |
| H13 | 0.6712 | −0.0009 | 0.2959 | 0.036* | |
| C14 | 0.48439 (14) | 0.02550 (7) | 0.35943 (11) | 0.0295 (3) | |
| H14 | 0.5392 | 0.0479 | 0.4233 | 0.035* | |
| C15 | 0.56748 (14) | −0.06453 (7) | 0.10994 (11) | 0.0305 (3) | |
| C16 | 0.64138 (15) | −0.08764 (7) | 0.04662 (11) | 0.0313 (3) | |
| C17 | 0.73414 (14) | −0.11338 (6) | −0.02860 (11) | 0.0289 (3) | |
| C18 | 0.67256 (14) | −0.15780 (7) | −0.11433 (11) | 0.0309 (3) | |
| H18 | 0.5689 | −0.1720 | −0.1231 | 0.037* | |
| C19 | 0.76419 (14) | −0.18118 (7) | −0.18695 (11) | 0.0289 (3) | |
| C20 | 0.91672 (14) | −0.16179 (7) | −0.17484 (11) | 0.0289 (3) | |
| H20 | 0.9792 | −0.1787 | −0.2238 | 0.035* | |
| C21 | 0.97568 (14) | −0.11696 (7) | −0.08931 (11) | 0.0310 (3) | |
| C22 | 0.88622 (14) | −0.09254 (7) | −0.01627 (11) | 0.0316 (3) | |
| H22 | 0.9283 | −0.0619 | 0.0416 | 0.038* | |
| C23 | 0.02302 (18) | 0.24526 (8) | 0.87014 (12) | 0.0434 (4) | |
| H23A | 0.0889 | 0.2677 | 0.9328 | 0.065* | |
| H23B | −0.0440 | 0.2122 | 0.8980 | 0.065* | |
| H23C | −0.0392 | 0.2800 | 0.8247 | 0.065* | |
| C24 | −0.43253 (15) | 0.17035 (8) | 0.58918 (13) | 0.0409 (4) | |
| H24A | −0.5365 | 0.1618 | 0.5488 | 0.061* | |
| H24B | −0.4108 | 0.2197 | 0.5890 | 0.061* | |
| H24C | −0.4236 | 0.1543 | 0.6657 | 0.061* | |
| C25 | 0.77935 (17) | −0.24753 (8) | −0.34851 (12) | 0.0398 (3) | |
| H25A | 0.7151 | −0.2772 | −0.4025 | 0.060* | |
| H25B | 0.8679 | −0.2737 | −0.3107 | 0.060* | |
| H25C | 0.8146 | −0.2082 | −0.3868 | 0.060* | |
| C26 | 1.22202 (17) | −0.11600 (9) | −0.14105 (15) | 0.0506 (4) | |
| H26A | 1.3229 | −0.0950 | −0.1178 | 0.076* | |
| H26B | 1.1803 | −0.1025 | −0.2175 | 0.076* | |
| H26C | 1.2316 | −0.1661 | −0.1366 | 0.076* | |
| O1 | 0.11541 (10) | 0.21008 (5) | 0.80454 (8) | 0.0360 (2) | |
| O2 | −0.32622 (10) | 0.13442 (5) | 0.53688 (8) | 0.0352 (2) | |
| O3 | 0.69301 (10) | −0.22363 (5) | −0.26936 (9) | 0.0396 (3) | |
| O4 | 1.12292 (11) | −0.09341 (6) | −0.07075 (9) | 0.0477 (3) |