| x | y | z | Uiso*/Ueq | ||
| O1 | 0.1630 (3) | −0.00578 (12) | 0.4174 (2) | 0.0795 (8) | |
| O2 | 0.0675 (2) | 0.12222 (11) | 0.51106 (18) | 0.0699 (7) | |
| C1 | 0.1639 (3) | 0.08682 (17) | 0.4441 (2) | 0.0515 (8) | |
| C2 | 0.2797 (3) | 0.15393 (16) | 0.3911 (2) | 0.0484 (7) | |
| C3 | 0.4010 (3) | 0.11136 (17) | 0.3377 (2) | 0.0533 (8) | |
| C4 | 0.5340 (3) | 0.15354 (16) | 0.2764 (2) | 0.0497 (8) | |
| C5 | 0.6214 (3) | 0.08770 (17) | 0.2126 (2) | 0.0534 (8) | |
| C6 | 0.7448 (3) | 0.11877 (18) | 0.1461 (2) | 0.0553 (8) | |
| C7 | 0.7829 (4) | 0.21882 (19) | 0.1470 (3) | 0.0637 (9) | |
| C8 | 0.7031 (4) | 0.2856 (2) | 0.2118 (3) | 0.0699 (10) | |
| C9 | 0.5794 (4) | 0.25412 (17) | 0.2757 (3) | 0.0646 (9) | |
| C10 | 0.2492 (3) | 0.26372 (17) | 0.4024 (3) | 0.0658 (10) | |
| C11 | 0.8342 (4) | 0.0464 (2) | 0.0760 (3) | 0.0788 (11) | |
| H1 | 0.10360 | −0.03595 | 0.45872 | 0.0954* | |
| H3 | 0.40046 | 0.04203 | 0.33992 | 0.0639* | |
| H5 | 0.59610 | 0.01991 | 0.21458 | 0.0640* | |
| H7 | 0.86445 | 0.24181 | 0.10285 | 0.0764* | |
| H8 | 0.73305 | 0.35299 | 0.21244 | 0.0838* | |
| H9 | 0.52556 | 0.30031 | 0.31872 | 0.0774* | |
| H10A | 0.15463 | 0.27413 | 0.44482 | 0.0988* | |
| H10B | 0.20537 | 0.29296 | 0.31123 | 0.0988* | |
| H10C | 0.36802 | 0.29433 | 0.45849 | 0.0988* | |
| H11A | 0.79146 | −0.01992 | 0.08522 | 0.1182* | |
| H11B | 0.97157 | 0.04960 | 0.11877 | 0.1182* | |
| H11C | 0.79701 | 0.06301 | −0.02083 | 0.1182* |