x | y | z | Uiso*/Ueq | Occ. (<1) | |
O1 | 0.1308 (2) | 0.45076 (11) | 0.1768 (8) | 0.0273 (7) | 0.50 |
N1 | 0.15188 (16) | 0.19174 (9) | 0.2675 (6) | 0.0376 (6) | |
C1 | 0.10982 (16) | 0.23658 (9) | 0.1829 (6) | 0.0260 (5) | |
C2 | 0.05529 (16) | 0.29272 (8) | 0.0857 (5) | 0.0219 (5) | |
C3 | 0.1103 (2) | 0.34676 (10) | 0.1663 (6) | 0.0349 (6) | |
H3 | 0.1853 | 0.3469 | 0.2801 | 0.042* | |
C4 | 0.0555 (3) | 0.40028 (10) | 0.0803 (7) | 0.0446 (7) | |
H4 | 0.0936 | 0.4374 | 0.1309 | 0.054* | 0.50 |
C5 | 0.2499 (3) | 0.44609 (17) | 0.3108 (13) | 0.0274 (10) | 0.50 |
H5A | 0.2962 | 0.4211 | 0.1458 | 0.033* | 0.50 |
H5B | 0.2522 | 0.4272 | 0.5535 | 0.033* | 0.50 |
C6 | 0.2980 (3) | 0.5082 (7) | 0.3303 (12) | 0.030 (3) | 0.50 |
C7 | 0.3440 (4) | 0.5544 (2) | 0.3459 (17) | 0.0463 (14) | 0.50 |
H7 | 0.386 (5) | 0.595 (3) | 0.363 (16) | 0.054 (16)* | 0.50 |