| x | y | z | Uiso*/Ueq | ||
| O1 | 0.9145 (2) | 0.9617 (3) | 0.09759 (4) | 0.0314 (4) | |
| O2 | 0.4737 (2) | 0.2514 (3) | 0.04921 (4) | 0.0282 (3) | |
| N1 | 0.6589 (2) | 0.6176 (3) | 0.08217 (5) | 0.0218 (4) | |
| C1 | 0.2783 (3) | 0.3279 (4) | 0.15445 (6) | 0.0303 (5) | |
| H1 | 0.1617 | 0.3659 | 0.1350 | 0.036* | |
| C2 | 0.2505 (4) | 0.1311 (4) | 0.18711 (7) | 0.0363 (5) | |
| H2 | 0.1157 | 0.0354 | 0.1901 | 0.044* | |
| C3 | 0.4206 (4) | 0.0760 (4) | 0.21524 (7) | 0.0399 (6) | |
| H3 | 0.4021 | −0.0568 | 0.2378 | 0.048* | |
| C4 | 0.6175 (4) | 0.2130 (4) | 0.21071 (6) | 0.0356 (5) | |
| H4 | 0.7346 | 0.1724 | 0.2299 | 0.043* | |
| C5 | 0.6439 (3) | 0.4094 (4) | 0.17812 (6) | 0.0298 (5) | |
| H5 | 0.7792 | 0.5036 | 0.1751 | 0.036* | |
| C6 | 0.4739 (3) | 0.4699 (4) | 0.14973 (6) | 0.0233 (4) | |
| C7 | 0.4994 (3) | 0.6895 (4) | 0.11523 (6) | 0.0252 (4) | |
| H7A | 0.3565 | 0.7201 | 0.1011 | 0.030* | |
| H7B | 0.5432 | 0.8691 | 0.1290 | 0.030* | |
| C8 | 0.8499 (3) | 0.7687 (3) | 0.07548 (6) | 0.0213 (4) | |
| C9 | 0.9507 (3) | 0.6455 (3) | 0.03618 (5) | 0.0199 (4) | |
| C10 | 0.8168 (3) | 0.4283 (3) | 0.02169 (5) | 0.0186 (4) | |
| C11 | 0.6279 (3) | 0.4093 (3) | 0.05118 (5) | 0.0211 (4) | |
| C12 | 1.1389 (3) | 0.7249 (3) | 0.01520 (5) | 0.0202 (4) | |
| H12 | 1.2303 | 0.8725 | 0.0253 | 0.024* |