| x | y | z | Uiso*/Ueq | ||
| C1 | 0.5669 (5) | 0.6271 (3) | 0.7407 (4) | 0.0255 (8) | |
| H1 | 0.5761 | 0.5621 | 0.6706 | 0.031* | |
| C2 | 0.6586 (5) | 0.6046 (4) | 0.8887 (4) | 0.0266 (8) | |
| H2 | 0.7296 | 0.5245 | 0.9206 | 0.032* | |
| C3 | 0.6438 (4) | 0.7025 (4) | 0.9891 (3) | 0.0241 (6) | |
| C4 | 0.5385 (5) | 0.8181 (4) | 0.9458 (4) | 0.0288 (8) | |
| H4 | 0.5283 | 0.8825 | 1.0160 | 0.035* | |
| C5 | 0.4479 (5) | 0.8387 (4) | 0.7982 (4) | 0.0292 (8) | |
| H5 | 0.3753 | 0.9182 | 0.7670 | 0.035* | |
| C6 | 0.4622 (5) | 0.7436 (3) | 0.6945 (4) | 0.0250 (8) | |
| C7 | 0.3742 (5) | 0.7800 (4) | 0.5351 (4) | 0.0277 (8) | |
| C8 | 0.3109 (5) | 0.6665 (4) | 0.4271 (4) | 0.0271 (8) | |
| C9 | 0.2468 (5) | 0.5475 (4) | 0.4610 (4) | 0.0252 (8) | |
| H9 | 0.2575 | 0.5416 | 0.5615 | 0.030* | |
| C10 | 0.1645 (5) | 0.4256 (4) | 0.3785 (4) | 0.0237 (7) | |
| C11 | 0.1567 (5) | 0.3124 (4) | 0.4629 (4) | 0.0304 (8) | |
| H11 | 0.2057 | 0.3188 | 0.5665 | 0.037* | |
| C12 | 0.0786 (5) | 0.1897 (4) | 0.3994 (4) | 0.0341 (9) | |
| H12 | 0.0774 | 0.1119 | 0.4578 | 0.041* | |
| C13 | 0.0028 (5) | 0.1849 (4) | 0.2478 (4) | 0.0303 (8) | |
| C14 | 0.0093 (5) | 0.2951 (4) | 0.1604 (4) | 0.0316 (9) | |
| H14 | −0.0427 | 0.2890 | 0.0570 | 0.038* | |
| C15 | 0.0928 (5) | 0.4146 (4) | 0.2258 (4) | 0.0276 (8) | |
| H15 | 0.1016 | 0.4899 | 0.1665 | 0.033* | |
| O1 | 0.3501 (5) | 0.8986 (3) | 0.4961 (3) | 0.0440 (8) | |
| Cl1 | 0.76953 (13) | 0.67976 (9) | 1.17307 (9) | 0.0352 (2) | |
| Cl2 | −0.10057 (15) | 0.03386 (11) | 0.16691 (12) | 0.0460 (3) | |
| Br1 | 0.31668 (5) | 0.71253 (4) | 0.23765 (4) | 0.03793 (12) |