| x | y | z | Uiso*/Ueq | ||
| O1 | 0.98377 (12) | 0.11865 (7) | 0.70415 (6) | 0.0676 (4) | |
| O2 | 0.84719 (10) | 0.19284 (6) | 0.62123 (6) | 0.0504 (3) | |
| O3 | 1.14302 (12) | −0.00717 (6) | 0.44126 (6) | 0.0628 (3) | |
| N1 | 1.16667 (12) | 0.17432 (7) | 0.55542 (6) | 0.0456 (3) | |
| N2 | 1.11668 (13) | 0.09905 (7) | 0.52543 (6) | 0.0485 (3) | |
| H2A | 1.0369 | 0.0782 | 0.5420 | 0.058* | |
| C1 | 1.26329 (16) | 0.33271 (9) | 0.60630 (8) | 0.0514 (4) | |
| H1B | 1.3104 | 0.3071 | 0.5646 | 0.062* | |
| C2 | 1.30914 (19) | 0.41054 (10) | 0.63304 (9) | 0.0616 (4) | |
| H2B | 1.3875 | 0.4369 | 0.6096 | 0.074* | |
| C3 | 1.2401 (2) | 0.44963 (10) | 0.69408 (10) | 0.0682 (5) | |
| H3A | 1.2713 | 0.5024 | 0.7117 | 0.082* | |
| C4 | 1.1246 (2) | 0.41045 (10) | 0.72922 (10) | 0.0675 (5) | |
| H4A | 1.0776 | 0.4368 | 0.7706 | 0.081* | |
| C5 | 1.07824 (17) | 0.33195 (9) | 0.70302 (8) | 0.0538 (4) | |
| H5A | 1.0005 | 0.3057 | 0.7271 | 0.065* | |
| C6 | 1.14696 (14) | 0.29215 (8) | 0.64113 (7) | 0.0416 (3) | |
| C7 | 1.09697 (14) | 0.20901 (8) | 0.61165 (7) | 0.0405 (3) | |
| C8 | 0.97033 (15) | 0.16787 (8) | 0.65146 (7) | 0.0422 (3) | |
| C9 | 0.71683 (16) | 0.15866 (11) | 0.65747 (9) | 0.0574 (4) | |
| H9A | 0.7085 | 0.1788 | 0.7108 | 0.069* | |
| H9B | 0.7202 | 0.0971 | 0.6582 | 0.069* | |
| C10 | 0.5936 (2) | 0.18798 (17) | 0.61093 (13) | 0.1044 (9) | |
| H10A | 0.5062 | 0.1667 | 0.6334 | 0.157* | |
| H10B | 0.6029 | 0.1675 | 0.5584 | 0.157* | |
| H10C | 0.5914 | 0.2489 | 0.6107 | 0.157* | |
| C11 | 1.19254 (16) | 0.05777 (9) | 0.46999 (8) | 0.0494 (4) | |
| C12 | 1.33423 (19) | 0.09243 (12) | 0.44570 (12) | 0.0758 (5) | |
| H12A | 1.3687 | 0.0617 | 0.4011 | 0.114* | |
| H12B | 1.4015 | 0.0867 | 0.4878 | 0.114* | |
| H12C | 1.3240 | 0.1513 | 0.4325 | 0.114* |