| x | y | z | Uiso*/Ueq | ||
| Br1 | 0.50841 (2) | 0.84764 (3) | 0.90903 (2) | 0.02370 (8) | |
| Br2 | −0.25048 (2) | 0.70383 (3) | 0.09773 (2) | 0.02253 (8) | |
| C1 | 0.4150 (2) | 0.8055 (3) | 0.78827 (15) | 0.0159 (5) | |
| C2 | 0.3013 (2) | 0.7135 (3) | 0.77050 (15) | 0.0161 (4) | |
| H2 | 0.269796 | 0.672242 | 0.817887 | 0.019* | |
| C3 | 0.2335 (2) | 0.6817 (3) | 0.68274 (15) | 0.0177 (5) | |
| H3 | 0.155194 | 0.617644 | 0.670292 | 0.021* | |
| C4 | 0.2778 (2) | 0.7417 (3) | 0.61232 (15) | 0.0167 (5) | |
| C5 | 0.3933 (2) | 0.8356 (3) | 0.63289 (16) | 0.0187 (5) | |
| H5 | 0.425069 | 0.878319 | 0.585874 | 0.022* | |
| C6 | 0.4624 (2) | 0.8674 (3) | 0.72041 (15) | 0.0173 (5) | |
| H6 | 0.541066 | 0.930801 | 0.733576 | 0.021* | |
| C7 | 0.2051 (2) | 0.7034 (4) | 0.51691 (16) | 0.0255 (6) | |
| H7A | 0.218424 | 0.577129 | 0.503799 | 0.031* | |
| H7B | 0.241041 | 0.777365 | 0.477256 | 0.031* | |
| C8 | 0.0625 (2) | 0.7386 (3) | 0.49531 (15) | 0.0212 (5) | |
| H8A | 0.025232 | 0.652822 | 0.529264 | 0.025* | |
| H8B | 0.049949 | 0.859257 | 0.516862 | 0.025* | |
| C9 | −0.0116 (2) | 0.7260 (3) | 0.39829 (14) | 0.0147 (4) | |
| C10 | −0.1344 (2) | 0.7992 (3) | 0.36922 (15) | 0.0167 (5) | |
| H10 | −0.170004 | 0.854105 | 0.411688 | 0.020* | |
| C11 | −0.2056 (2) | 0.7945 (3) | 0.28122 (15) | 0.0172 (5) | |
| H11 | −0.288380 | 0.846752 | 0.263034 | 0.021* | |
| C12 | −0.1540 (2) | 0.7119 (3) | 0.21965 (15) | 0.0161 (4) | |
| C13 | −0.0336 (2) | 0.6354 (3) | 0.24522 (15) | 0.0172 (5) | |
| H13 | 0.000460 | 0.578442 | 0.202509 | 0.021* | |
| C14 | 0.0369 (2) | 0.6430 (3) | 0.33433 (15) | 0.0154 (4) | |
| H14 | 0.119669 | 0.590830 | 0.352166 | 0.018* |