| x | y | z | Uiso*/Ueq | ||
| C1 | 0.61455 (18) | 0.5555 (3) | 0.36390 (13) | 0.0399 (6) | |
| C2 | 0.53352 (18) | 0.5222 (3) | 0.32542 (13) | 0.0437 (7) | |
| H2 | 0.5206 | 0.5762 | 0.2843 | 0.052* | |
| C3 | 0.46688 (18) | 0.4072 (3) | 0.34547 (14) | 0.0425 (7) | |
| C4 | 0.56434 (16) | 0.3698 (3) | 0.44910 (12) | 0.0352 (6) | |
| C5 | 0.63240 (16) | 0.4753 (3) | 0.42875 (13) | 0.0373 (6) | |
| C6 | 0.71549 (19) | 0.5000 (3) | 0.47401 (15) | 0.0491 (7) | |
| H6 | 0.7635 | 0.5697 | 0.4613 | 0.059* | |
| C7 | 0.7255 (2) | 0.4236 (4) | 0.53509 (15) | 0.0538 (8) | |
| H7 | 0.7809 | 0.4412 | 0.5636 | 0.065* | |
| C8 | 0.65443 (18) | 0.3177 (3) | 0.55708 (13) | 0.0434 (7) | |
| C9 | 0.6629 (2) | 0.2399 (4) | 0.62160 (15) | 0.0567 (8) | |
| H9 | 0.7168 | 0.2582 | 0.6514 | 0.068* | |
| C10 | 0.5932 (3) | 0.1385 (4) | 0.64072 (16) | 0.0649 (9) | |
| H10 | 0.5996 | 0.0882 | 0.6836 | 0.078* | |
| C11 | 0.5123 (2) | 0.1087 (3) | 0.59706 (16) | 0.0579 (8) | |
| H11 | 0.4654 | 0.0381 | 0.6107 | 0.069* | |
| C12 | 0.5010 (2) | 0.1822 (3) | 0.53436 (14) | 0.0466 (7) | |
| H12 | 0.4465 | 0.1618 | 0.5055 | 0.056* | |
| C13 | 0.57165 (17) | 0.2887 (3) | 0.51328 (12) | 0.0377 (6) | |
| C14 | 0.6857 (2) | 0.6737 (3) | 0.33961 (16) | 0.0508 (7) | |
| H14A | 0.6521 | 0.7373 | 0.3056 | 0.061* | |
| H14B | 0.7041 | 0.7347 | 0.3800 | 0.061* | |
| C15 | 0.7782 (2) | 0.6133 (3) | 0.30629 (14) | 0.0461 (7) | |
| O1 | 0.75750 (14) | 0.5102 (2) | 0.25935 (11) | 0.0661 (6) | |
| H1 | 0.8094 | 0.4790 | 0.2419 | 0.099* | |
| O2 | 0.86066 (15) | 0.6547 (3) | 0.31854 (12) | 0.0770 (7) | |
| O3 | 0.48342 (11) | 0.33699 (19) | 0.40811 (9) | 0.0407 (5) | |
| O4 | 0.39440 (14) | 0.3648 (2) | 0.31208 (10) | 0.0597 (6) |