| x | y | z | Uiso*/Ueq | ||
| O1 | −0.09153 (15) | 0.87698 (10) | 0.26779 (8) | 0.0377 (2) | |
| H1 | −0.175 (3) | 0.892 (2) | 0.3196 (17) | 0.067 (6)* | |
| O2 | −0.25708 (18) | 0.99014 (12) | 0.41459 (9) | 0.0505 (3) | |
| O3 | −0.16796 (18) | 1.21628 (12) | 0.48417 (9) | 0.0491 (3) | |
| O4 | 0.23627 (16) | 0.52864 (10) | −0.09022 (8) | 0.0405 (2) | |
| Cl1 | 0.48249 (6) | 1.39934 (4) | 0.30599 (3) | 0.05110 (15) | |
| C1 | 0.3067 (2) | 1.24545 (14) | 0.29830 (10) | 0.0313 (3) | |
| C2 | 0.1636 (2) | 1.24546 (14) | 0.36668 (10) | 0.0310 (3) | |
| C3 | 0.02086 (19) | 1.11978 (13) | 0.35519 (9) | 0.0279 (3) | |
| C4 | 0.03415 (19) | 1.00141 (13) | 0.27908 (10) | 0.0272 (3) | |
| C5 | 0.18323 (18) | 1.00544 (13) | 0.21221 (9) | 0.0265 (3) | |
| C6 | 0.32076 (19) | 1.12961 (13) | 0.22127 (9) | 0.0282 (3) | |
| C7 | 0.4785 (2) | 1.14192 (16) | 0.14895 (11) | 0.0386 (3) | |
| H7A | 0.4538 | 1.0572 | 0.0937 | 0.058* | |
| H7B | 0.6207 | 1.1501 | 0.1925 | 0.058* | |
| H7C | 0.4637 | 1.2265 | 0.1136 | 0.058* | |
| C8 | −0.1451 (2) | 1.10217 (14) | 0.41965 (10) | 0.0318 (3) | |
| C9 | −0.3311 (3) | 1.20118 (19) | 0.54694 (14) | 0.0515 (4) | |
| H9A | −0.4673 | 1.1710 | 0.4978 | 0.077* | |
| H9B | −0.3346 | 1.2925 | 0.5910 | 0.077* | |
| H9C | −0.3018 | 1.1298 | 0.5945 | 0.077* | |
| C10 | 0.1683 (3) | 1.37309 (18) | 0.45028 (13) | 0.0513 (4) | |
| H10A | 0.2995 | 1.4367 | 0.4576 | 0.077* | |
| H10B | 0.1599 | 1.3421 | 0.5202 | 0.077* | |
| H10C | 0.0487 | 1.4235 | 0.4275 | 0.077* | |
| C11 | 0.18957 (19) | 0.87662 (13) | 0.13357 (9) | 0.0277 (3) | |
| C12 | 0.0254 (2) | 0.82784 (14) | 0.04645 (10) | 0.0310 (3) | |
| H12 | −0.0962 | 0.8750 | 0.0389 | 0.037* | |
| C13 | 0.0333 (2) | 0.71183 (14) | −0.03026 (10) | 0.0320 (3) | |
| H13 | −0.0805 | 0.6811 | −0.0899 | 0.038* | |
| C14 | 0.2094 (2) | 0.64160 (13) | −0.01864 (10) | 0.0312 (3) | |
| C15 | 0.3732 (2) | 0.68633 (15) | 0.06955 (11) | 0.0366 (3) | |
| H15 | 0.4927 | 0.6372 | 0.0785 | 0.044* | |
| C16 | 0.3628 (2) | 0.80242 (15) | 0.14448 (11) | 0.0348 (3) | |
| H16 | 0.4760 | 0.8322 | 0.2046 | 0.042* | |
| C17 | 0.0787 (3) | 0.48428 (16) | −0.18492 (11) | 0.0427 (3) | |
| H17A | −0.0537 | 0.4516 | −0.1644 | 0.064* | |
| H17B | 0.1213 | 0.4064 | −0.2306 | 0.064* | |
| H17C | 0.0596 | 0.5642 | −0.2252 | 0.064* |