| x | y | z | Uiso*/Ueq | ||
| Br1 | −0.08475 (4) | 0.81672 (3) | 0.00562 (2) | 0.02904 (7) | |
| Br2 | 0.48472 (4) | 0.08778 (3) | 0.11939 (2) | 0.03302 (8) | |
| O1 | 0.5485 (3) | 0.6991 (2) | 0.19580 (10) | 0.0223 (3) | |
| O2 | 0.8281 (3) | 0.4838 (2) | 0.16971 (12) | 0.0300 (4) | |
| C1 | 0.4550 (3) | 0.6259 (3) | 0.15806 (14) | 0.0180 (4) | |
| C2 | 0.3764 (3) | 0.7009 (3) | 0.09361 (13) | 0.0177 (4) | |
| H2 | 0.3906 | 0.7927 | 0.0756 | 0.021* | |
| C3 | 0.2757 (3) | 0.6375 (3) | 0.05580 (13) | 0.0168 (4) | |
| C4 | 0.2561 (3) | 0.5002 (3) | 0.08395 (14) | 0.0183 (4) | |
| H4 | 0.1896 | 0.4570 | 0.0587 | 0.022* | |
| C5 | 0.3346 (3) | 0.4268 (3) | 0.14936 (14) | 0.0189 (4) | |
| C6 | 0.4351 (3) | 0.4903 (3) | 0.18721 (14) | 0.0190 (4) | |
| H6 | 0.4879 | 0.4425 | 0.2312 | 0.023* | |
| C7 | 0.7388 (4) | 0.6174 (3) | 0.19617 (14) | 0.0204 (4) | |
| C8 | 0.8159 (4) | 0.7190 (3) | 0.23218 (15) | 0.0262 (5) | |
| H8A | 0.9257 | 0.6518 | 0.2548 | 0.039* | |
| H8B | 0.7203 | 0.7887 | 0.2725 | 0.039* | |
| H8C | 0.8515 | 0.7817 | 0.1925 | 0.039* | |
| C9 | 0.1944 (3) | 0.7141 (3) | −0.01535 (14) | 0.0221 (5) | |
| H9A | 0.2349 | 0.6337 | −0.0575 | 0.026* | |
| H9B | 0.2432 | 0.7937 | −0.0326 | 0.026* | |
| C10 | 0.3063 (4) | 0.2828 (3) | 0.18047 (17) | 0.0258 (5) | |
| H10A | 0.1767 | 0.2972 | 0.1783 | 0.031* | |
| H10B | 0.3249 | 0.2712 | 0.2351 | 0.031* | |
| Br1A | 0.43346 (3) | 0.44424 (3) | 0.61006 (2) | 0.02337 (6) | |
| Br2A | 0.92345 (4) | −0.40729 (3) | 0.60976 (2) | 0.02744 (7) | |
| O1A | 0.9262 (3) | 0.0059 (2) | 0.34359 (11) | 0.0285 (4) | |
| O2A | 0.6523 (3) | 0.1522 (3) | 0.30204 (12) | 0.0443 (6) | |
| C1A | 0.8337 (3) | 0.0113 (3) | 0.42092 (14) | 0.0200 (4) | |
| C2A | 0.7921 (3) | 0.1409 (3) | 0.47025 (16) | 0.0219 (5) | |
| H2A | 0.8118 | 0.2296 | 0.4509 | 0.026* | |
| C3A | 0.7203 (3) | 0.1375 (3) | 0.54912 (15) | 0.0210 (5) | |
| C4A | 0.6907 (3) | 0.0042 (3) | 0.57655 (14) | 0.0192 (4) | |
| H4A | 0.6413 | 0.0022 | 0.6292 | 0.023* | |
| C5A | 0.7340 (3) | −0.1266 (3) | 0.52649 (13) | 0.0171 (4) | |
| C6A | 0.8055 (3) | −0.1220 (3) | 0.44763 (13) | 0.0178 (4) | |
| H6A | 0.8340 | −0.2079 | 0.4133 | 0.021* | |
| C7A | 0.8205 (4) | 0.0866 (3) | 0.28849 (14) | 0.0219 (5) | |
| C8A | 0.9420 (4) | 0.0791 (4) | 0.21112 (16) | 0.0317 (6) | |
| H8A1 | 0.9001 | 0.0369 | 0.1712 | 0.048* | |
| H8A2 | 1.0722 | 0.0109 | 0.2145 | 0.048* | |
| H8A3 | 0.9317 | 0.1846 | 0.1980 | 0.048* | |
| C9A | 0.6879 (4) | 0.2709 (3) | 0.60537 (19) | 0.0323 (6) | |
| H9A1 | 0.7829 | 0.3134 | 0.5893 | 0.039* | |
| H9A2 | 0.7036 | 0.2291 | 0.6574 | 0.039* | |
| C10A | 0.7074 (3) | −0.2710 (3) | 0.55685 (15) | 0.0225 (5) | |
| H10C | 0.6986 | −0.3315 | 0.5136 | 0.027* | |
| H10D | 0.5896 | −0.2386 | 0.5938 | 0.027* |