| x | y | z | Uiso*/Ueq | ||
| C1 | 0.67815 (17) | 0.7844 (3) | 0.5679 (3) | 0.0430 (5) | |
| C2 | 0.68722 (16) | 0.7118 (3) | 0.3666 (3) | 0.0452 (5) | |
| C3 | 0.78232 (18) | 0.6912 (3) | 0.3009 (4) | 0.0473 (5) | |
| H3 | 0.7878 | 0.6379 | 0.1711 | 0.057* | |
| C4 | 0.86907 (16) | 0.7504 (3) | 0.4299 (3) | 0.0448 (5) | |
| C5 | 0.86142 (16) | 0.8247 (3) | 0.6292 (3) | 0.0482 (5) | |
| H5 | 0.9199 | 0.8648 | 0.7153 | 0.058* | |
| C6 | 0.76785 (16) | 0.8378 (3) | 0.6958 (3) | 0.0472 (5) | |
| H6 | 0.7637 | 0.8834 | 0.8297 | 0.057* | |
| C7 | 0.9809 (2) | 0.6644 (5) | 0.1854 (5) | 0.0735 (7) | |
| H7A | 0.9579 | 0.5374 | 0.1792 | 0.088* | |
| H7B | 1.0525 | 0.6683 | 0.1720 | 0.088* | |
| H7C | 0.9429 | 0.7339 | 0.0730 | 0.088* | |
| C8 | 0.58033 (17) | 0.7980 (3) | 0.6444 (3) | 0.0465 (5) | |
| H8 | 0.5785 | 0.8356 | 0.7822 | 0.056* | |
| C9 | 0.40316 (17) | 0.7582 (3) | 0.6157 (4) | 0.0456 (5) | |
| C10 | 0.39603 (19) | 0.6839 (3) | 0.8123 (4) | 0.0539 (5) | |
| H10 | 0.4544 | 0.6382 | 0.8942 | 0.065* | |
| C11 | 0.3028 (2) | 0.6775 (4) | 0.8871 (4) | 0.0606 (6) | |
| H11 | 0.2976 | 0.6270 | 1.0184 | 0.073* | |
| C12 | 0.21810 (19) | 0.7470 (4) | 0.7637 (5) | 0.0598 (6) | |
| C13 | 0.22135 (19) | 0.8207 (4) | 0.5678 (4) | 0.0607 (6) | |
| H13 | 0.1625 | 0.8667 | 0.4877 | 0.073* | |
| C14 | 0.31454 (17) | 0.8245 (4) | 0.4932 (4) | 0.0522 (5) | |
| H14 | 0.3185 | 0.8717 | 0.3599 | 0.063* | |
| N1 | 0.49593 (14) | 0.7598 (2) | 0.5277 (3) | 0.0485 (5) | |
| O1 | 0.60343 (14) | 0.6613 (3) | 0.2332 (3) | 0.0631 (5) | |
| O2 | 0.96531 (13) | 0.7433 (3) | 0.3800 (3) | 0.0561 (4) | |
| F1 | 0.12629 (15) | 0.7419 (3) | 0.8381 (4) | 0.0922 (6) | |
| H1 | 0.553 (2) | 0.676 (4) | 0.294 (5) | 0.079 (10)* |