| x | y | z | Uiso*/Ueq | ||
| O1 | 0.6903 (3) | −0.70878 (17) | 0.11893 (14) | 0.0879 (5) | |
| O2 | 0.6965 (2) | −0.95151 (14) | 0.24871 (13) | 0.0696 (4) | |
| N1 | 0.44256 (15) | −0.71135 (15) | 0.57975 (13) | 0.0470 (3) | |
| C1 | 0.56342 (18) | −0.68228 (16) | 0.60840 (15) | 0.0438 (3) | |
| C2 | 0.5192 (2) | −0.6418 (2) | 0.73600 (17) | 0.0551 (4) | |
| H2 | 0.4104 | −0.6328 | 0.7953 | 0.066* | |
| C3 | 0.6347 (3) | −0.6159 (2) | 0.77284 (19) | 0.0622 (5) | |
| H3 | 0.6046 | −0.5907 | 0.8575 | 0.075* | |
| C4 | 0.7988 (2) | −0.6273 (2) | 0.6834 (2) | 0.0615 (4) | |
| H4 | 0.8767 | −0.6096 | 0.7094 | 0.074* | |
| C5 | 0.8456 (2) | −0.66413 (19) | 0.55808 (18) | 0.0523 (4) | |
| H5 | 0.9545 | −0.6702 | 0.4994 | 0.063* | |
| C6 | 0.72854 (17) | −0.69295 (15) | 0.51769 (15) | 0.0420 (3) | |
| C7 | 0.76870 (17) | −0.73393 (15) | 0.38991 (14) | 0.0402 (3) | |
| C8 | 0.94211 (17) | −0.75008 (16) | 0.29187 (15) | 0.0423 (3) | |
| C9 | 1.0023 (2) | −0.61966 (19) | 0.20110 (18) | 0.0546 (4) | |
| H9 | 0.9326 | −0.5206 | 0.1985 | 0.066* | |
| C10 | 1.1658 (2) | −0.6361 (2) | 0.11427 (19) | 0.0619 (4) | |
| H10 | 1.2049 | −0.5483 | 0.0535 | 0.074* | |
| C11 | 1.2697 (2) | −0.7819 (2) | 0.11829 (18) | 0.0612 (5) | |
| H11 | 1.3796 | −0.7925 | 0.0614 | 0.073* | |
| C12 | 1.2116 (2) | −0.9125 (2) | 0.20633 (19) | 0.0622 (4) | |
| H12 | 1.2818 | −1.0112 | 0.2081 | 0.075* | |
| C13 | 1.0480 (2) | −0.89658 (18) | 0.29248 (17) | 0.0526 (4) | |
| H13 | 1.009 | −0.9851 | 0.3512 | 0.063* | |
| C14 | 0.64476 (17) | −0.76184 (16) | 0.36344 (14) | 0.0410 (3) | |
| C15 | 0.67936 (18) | −0.80112 (17) | 0.22859 (15) | 0.0451 (3) | |
| C16 | 0.7336 (3) | −1.0130 (2) | 0.12943 (19) | 0.0640 (5) | |
| H16A | 0.7594 | −0.9331 | 0.0428 | 0.077* | |
| H16B | 0.6389 | −1.0461 | 0.1365 | 0.077* | |
| C17 | 0.8780 (3) | −1.1482 (3) | 0.1307 (2) | 0.0694 (5) | |
| H17A | 0.8511 | −1.2265 | 0.2168 | 0.083* | |
| H17B | 0.9711 | −1.114 | 0.1231 | 0.083* | |
| H17C | 0.905 | −1.1913 | 0.0532 | 0.083* | |
| C18 | 0.48148 (18) | −0.75086 (17) | 0.46289 (15) | 0.0441 (3) | |
| C19 | 0.3470 (2) | −0.7867 (2) | 0.43737 (19) | 0.0577 (4) | |
| H19A | 0.2567 | −0.6965 | 0.4356 | 0.069* | |
| H19B | 0.3086 | −0.8727 | 0.511 | 0.069* | |
| H19C | 0.3897 | −0.8138 | 0.3491 | 0.069* |