| x | y | z | Uiso*/Ueq | ||
| C6 | 0.4332 (2) | −0.0332 (5) | 0.39288 (14) | 0.0447 (6) | |
| C5 | 0.5218 (2) | −0.2016 (5) | 0.40434 (17) | 0.0571 (8) | |
| H5 | 0.5107 | −0.3340 | 0.4357 | 0.069* | |
| C8 | 0.3200 (2) | −0.0595 (5) | 0.42808 (15) | 0.0472 (7) | |
| C7 | 0.4558 (2) | 0.1643 (5) | 0.34621 (16) | 0.0520 (7) | |
| H7 | 0.3994 | 0.2827 | 0.3379 | 0.062* | |
| C3 | 0.6471 (2) | 0.0163 (5) | 0.32361 (16) | 0.0548 (7) | |
| C2 | 0.5594 (2) | 0.1865 (5) | 0.31268 (16) | 0.0548 (7) | |
| H2 | 0.5712 | 0.3193 | 0.2817 | 0.066* | |
| C10 | 0.0517 (2) | 0.2495 (5) | 0.42066 (17) | 0.0562 (7) | |
| C4 | 0.6258 (2) | −0.1771 (5) | 0.37036 (18) | 0.0632 (8) | |
| H4 | 0.6830 | −0.2937 | 0.3792 | 0.076* | |
| C1 | 0.7601 (3) | 0.0414 (7) | 0.28540 (19) | 0.0764 (10) | |
| H1A | 0.7559 | 0.1786 | 0.2518 | 0.115* | |
| H1B | 0.7732 | −0.1002 | 0.2557 | 0.115* | |
| H1C | 0.8230 | 0.0618 | 0.3243 | 0.115* | |
| C9 | 0.3016 (2) | −0.2711 (5) | 0.47910 (17) | 0.0602 (8) | |
| H9A | 0.2698 | −0.2178 | 0.5258 | 0.063* | |
| H9C | 0.3746 | −0.3499 | 0.4916 | 0.063* | |
| H9B | 0.2484 | −0.3812 | 0.4526 | 0.063* | |
| C11 | −0.0088 (3) | 0.5827 (6) | 0.3454 (2) | 0.0789 (10) | |
| H11A | −0.0725 | 0.5048 | 0.3167 | 0.118* | |
| H11B | 0.0235 | 0.7033 | 0.3137 | 0.118* | |
| H11C | −0.0362 | 0.6564 | 0.3907 | 0.118* | |
| N2 | 0.13765 (19) | 0.0920 (4) | 0.44132 (14) | 0.0613 (7) | |
| H2A | 0.1257 | −0.0182 | 0.4746 | 0.074* | |
| N1 | 0.24476 (18) | 0.1054 (4) | 0.40979 (13) | 0.0548 (6) | |
| O2 | 0.07955 (17) | 0.4080 (4) | 0.36804 (12) | 0.0690 (7) | |
| O1 | −0.04293 (16) | 0.2424 (4) | 0.44769 (13) | 0.0733 (7) |