| x | y | z | Uiso*/Ueq | ||
| O1 | 0.56862 (10) | 0.12610 (9) | −0.37797 (13) | 0.0668 (4) | |
| O2 | 0.68506 (8) | 0.13694 (7) | −0.11396 (12) | 0.0495 (3) | |
| O3 | 1.15702 (8) | 0.09384 (8) | 0.43236 (15) | 0.0642 (4) | |
| C1 | 0.57829 (12) | 0.13397 (9) | −0.21507 (18) | 0.0460 (4) | |
| C2 | 0.48087 (11) | 0.13874 (8) | −0.11934 (17) | 0.0421 (4) | |
| C3 | 0.37156 (12) | 0.15327 (9) | −0.2200 (2) | 0.0512 (5) | |
| C4 | 0.27961 (12) | 0.15613 (10) | −0.1325 (2) | 0.0575 (5) | |
| C5 | 0.29633 (12) | 0.14322 (10) | 0.0534 (2) | 0.0576 (5) | |
| C6 | 0.40443 (12) | 0.12764 (10) | 0.1541 (2) | 0.0519 (5) | |
| C7 | 0.49834 (11) | 0.12588 (8) | 0.06918 (17) | 0.0422 (4) | |
| C8 | 0.61822 (11) | 0.11135 (10) | 0.17022 (17) | 0.0465 (4) | |
| C9 | 0.70140 (11) | 0.16318 (9) | 0.07877 (17) | 0.0440 (4) | |
| C10 | 0.82407 (11) | 0.14481 (9) | 0.16272 (17) | 0.0438 (4) | |
| C11 | 0.88770 (12) | 0.20841 (10) | 0.27598 (19) | 0.0525 (5) | |
| C12 | 0.99780 (12) | 0.18919 (11) | 0.3646 (2) | 0.0573 (5) | |
| C13 | 1.04728 (11) | 0.10621 (10) | 0.34024 (18) | 0.0484 (4) | |
| C14 | 0.98541 (12) | 0.04249 (10) | 0.2268 (2) | 0.0542 (5) | |
| C15 | 0.87482 (12) | 0.06259 (10) | 0.1397 (2) | 0.0529 (5) | |
| C16 | 1.20764 (14) | 0.00719 (12) | 0.4207 (2) | 0.0664 (6) | |
| H3 | 0.36043 | 0.16105 | −0.34599 | 0.0615* | |
| H4 | 0.20631 | 0.16679 | −0.19903 | 0.0690* | |
| H5 | 0.23396 | 0.14501 | 0.11186 | 0.0691* | |
| H6 | 0.41438 | 0.11826 | 0.27955 | 0.0623* | |
| H8A | 0.62502 | 0.13197 | 0.29549 | 0.0558* | |
| H8B | 0.63641 | 0.04693 | 0.17237 | 0.0558* | |
| H9 | 0.6859 (12) | 0.2278 (10) | 0.0814 (19) | 0.0527* | |
| H11 | 0.85577 | 0.26487 | 0.29252 | 0.0630* | |
| H12 | 1.03908 | 0.23245 | 0.44148 | 0.0687* | |
| H14 | 1.01772 | −0.01364 | 0.20892 | 0.0651* | |
| H15 | 0.83351 | 0.01922 | 0.06319 | 0.0635* | |
| H16A | 1.28412 | 0.00733 | 0.49143 | 0.0995* | |
| H16B | 1.16306 | −0.03839 | 0.46749 | 0.0995* | |
| H16C | 1.21001 | −0.00605 | 0.29534 | 0.0995* |