| x | y | z | Uiso*/Ueq | ||
| O1 | 0.83004 (8) | 0.77322 (14) | 0.37654 (5) | 0.0301 (3) | |
| O2 | 0.51698 (9) | 0.86337 (14) | 0.58360 (5) | 0.0261 (3) | |
| H2 | 0.4559 | 0.8151 | 0.5849 | 0.039* | |
| C1 | 0.67652 (14) | 0.8006 (2) | 0.31719 (7) | 0.0211 (4) | |
| C2 | 0.73020 (14) | 0.7315 (2) | 0.27099 (7) | 0.0291 (5) | |
| H2A | 0.7986 | 0.6768 | 0.2761 | 0.035* | |
| C3 | 0.68450 (16) | 0.7422 (2) | 0.21789 (7) | 0.0370 (5) | |
| H3 | 0.7213 | 0.6946 | 0.1865 | 0.044* | |
| C4 | 0.58475 (16) | 0.8226 (2) | 0.21010 (8) | 0.0363 (5) | |
| H4 | 0.5527 | 0.8278 | 0.1735 | 0.044* | |
| C5 | 0.53206 (15) | 0.8948 (2) | 0.25549 (7) | 0.0306 (5) | |
| H5 | 0.4649 | 0.9524 | 0.2499 | 0.037* | |
| C6 | 0.57691 (14) | 0.8834 (2) | 0.30907 (7) | 0.0248 (5) | |
| H6 | 0.5400 | 0.9317 | 0.3403 | 0.030* | |
| C7 | 0.72879 (13) | 0.78937 (19) | 0.37381 (7) | 0.0210 (4) | |
| C8 | 0.66409 (13) | 0.80471 (19) | 0.42695 (7) | 0.0186 (4) | |
| C9 | 0.71040 (13) | 0.9034 (2) | 0.46920 (7) | 0.0209 (4) | |
| H9 | 0.7782 | 0.9572 | 0.4616 | 0.025* | |
| C10 | 0.66178 (13) | 0.9261 (2) | 0.52152 (7) | 0.0185 (4) | |
| C11 | 0.56262 (13) | 0.8428 (2) | 0.53126 (7) | 0.0195 (4) | |
| C12 | 0.51675 (13) | 0.74203 (19) | 0.49063 (7) | 0.0210 (4) | |
| H12 | 0.4505 | 0.6849 | 0.4990 | 0.025* | |
| C13 | 0.56518 (13) | 0.7218 (2) | 0.43752 (7) | 0.0189 (4) | |
| C14 | 0.71190 (13) | 1.0335 (2) | 0.56630 (7) | 0.0270 (5) | |
| H14A | 0.7342 | 0.9656 | 0.5986 | 0.040* | |
| H14B | 0.6577 | 1.1150 | 0.5787 | 0.040* | |
| H14C | 0.7766 | 1.0898 | 0.5509 | 0.040* | |
| C15 | 0.51105 (14) | 0.6050 (2) | 0.39635 (7) | 0.0266 (5) | |
| H15A | 0.4730 | 0.5180 | 0.4173 | 0.040* | |
| H15B | 0.5673 | 0.5560 | 0.3719 | 0.040* | |
| H15C | 0.4577 | 0.6653 | 0.3732 | 0.040* |