| x | y | z | Uiso*/Ueq | ||
| Cl1 | 0.717808 (15) | 0.28404 (8) | 0.54723 (2) | 0.02583 (8) | |
| O1 | 0.56257 (5) | −0.2638 (2) | 0.10796 (7) | 0.02292 (18) | |
| O2 | 0.52989 (4) | −0.2045 (3) | 0.35622 (8) | 0.02328 (19) | |
| C13 | 0.47093 (6) | −0.4899 (3) | 0.17874 (10) | 0.0209 (2) | |
| H13A | 0.4398 | −0.5572 | 0.2251 | 0.025* | |
| C1 | 0.75871 (6) | 0.3597 (3) | 0.43900 (8) | 0.01692 (19) | |
| C2 | 0.82334 (6) | 0.5030 (3) | 0.44283 (9) | 0.0203 (2) | |
| H2A | 0.8429 | 0.5581 | 0.5012 | 0.024* | |
| C3 | 0.85871 (6) | 0.5636 (3) | 0.35885 (10) | 0.0205 (2) | |
| H3A | 0.9022 | 0.6575 | 0.3606 | 0.025* | |
| C4 | 0.82839 (6) | 0.4826 (3) | 0.27213 (9) | 0.0188 (2) | |
| H4A | 0.8516 | 0.5252 | 0.2157 | 0.023* | |
| C5 | 0.76378 (6) | 0.3389 (3) | 0.26935 (8) | 0.0173 (2) | |
| H5A | 0.7444 | 0.2862 | 0.2107 | 0.021* | |
| C6 | 0.72688 (6) | 0.2709 (3) | 0.35301 (9) | 0.01496 (19) | |
| C7 | 0.65913 (5) | 0.1151 (3) | 0.35030 (8) | 0.01663 (18) | |
| H7A | 0.6348 | 0.1105 | 0.4070 | 0.020* | |
| C8 | 0.62901 (5) | −0.0215 (3) | 0.27343 (8) | 0.0177 (2) | |
| H8A | 0.6512 | −0.0168 | 0.2150 | 0.021* | |
| C9 | 0.56065 (6) | −0.1798 (3) | 0.28067 (8) | 0.01660 (19) | |
| C10 | 0.53018 (6) | −0.3151 (3) | 0.19325 (9) | 0.0167 (2) | |
| C11 | 0.52194 (7) | −0.4069 (4) | 0.03974 (10) | 0.0256 (2) | |
| H11A | 0.5316 | −0.4062 | −0.0251 | 0.031* | |
| C12 | 0.46571 (7) | −0.5500 (4) | 0.07910 (10) | 0.0238 (2) | |
| H12A | 0.4307 | −0.6644 | 0.0474 | 0.029* |