| x | y | z | Uiso*/Ueq | ||
| O1 | 0.8531 (2) | 0.18982 (18) | 0.34863 (13) | 0.0878 (6) | |
| O2 | 0.89842 (16) | 0.42028 (16) | 0.33853 (10) | 0.0657 (4) | |
| O3 | 0.73548 (14) | 0.51487 (15) | 0.57413 (9) | 0.0611 (4) | |
| O4 | 0.5562 (2) | 0.3555 (2) | 0.56376 (12) | 0.0961 (7) | |
| C1 | 0.78028 (18) | 0.4741 (2) | 0.49394 (12) | 0.0521 (4) | |
| C2 | 0.7829 (2) | 0.3396 (2) | 0.46205 (14) | 0.0601 (5) | |
| H2 | 0.7447 | 0.2654 | 0.4923 | 0.072* | |
| C3 | 0.8442 (2) | 0.3080 (2) | 0.38166 (15) | 0.0637 (5) | |
| C4 | 0.89359 (19) | 0.5596 (2) | 0.36974 (13) | 0.0552 (5) | |
| C5 | 0.9492 (2) | 0.6653 (3) | 0.32029 (15) | 0.0686 (6) | |
| H5 | 0.9891 | 0.6417 | 0.2689 | 0.082* | |
| C6 | 0.9443 (3) | 0.8055 (3) | 0.34855 (18) | 0.0770 (7) | |
| H6 | 0.9807 | 0.8776 | 0.3155 | 0.092* | |
| C7 | 0.8862 (3) | 0.8417 (2) | 0.42546 (19) | 0.0769 (6) | |
| H7 | 0.8837 | 0.9373 | 0.4439 | 0.092* | |
| C8 | 0.8321 (2) | 0.7356 (2) | 0.47459 (15) | 0.0640 (5) | |
| H8 | 0.7930 | 0.7600 | 0.5263 | 0.077* | |
| C9 | 0.83527 (18) | 0.5928 (2) | 0.44771 (13) | 0.0514 (4) | |
| C10 | 0.6263 (2) | 0.4471 (2) | 0.60627 (13) | 0.0588 (5) | |
| C11 | 0.6104 (3) | 0.5117 (3) | 0.69639 (16) | 0.0763 (7) | |
| H11A | 0.5905 | 0.6134 | 0.6862 | 0.092* | |
| H11B | 0.7010 | 0.5039 | 0.7392 | 0.092* | |
| C12 | 0.4994 (3) | 0.4499 (3) | 0.74266 (16) | 0.0776 (7) | |
| H12A | 0.4091 | 0.4569 | 0.6995 | 0.093* | |
| H12B | 0.5199 | 0.3484 | 0.7531 | 0.093* | |
| C13 | 0.4818 (4) | 0.5132 (4) | 0.8311 (2) | 0.1043 (11) | |
| H13A | 0.4636 | 0.6150 | 0.8203 | 0.125* | |
| H13B | 0.5723 | 0.5050 | 0.8739 | 0.125* | |
| C14 | 0.3720 (4) | 0.4574 (4) | 0.8790 (2) | 0.1154 (12) | |
| H14A | 0.2833 | 0.4508 | 0.8355 | 0.173* | |
| H14B | 0.3614 | 0.5211 | 0.9291 | 0.173* | |
| H14C | 0.3992 | 0.3637 | 0.9038 | 0.173* |