x | y | z | Uiso*/Ueq | ||
O1 | −0.1621 (4) | 0.29596 (12) | 0.33611 (13) | 0.0887 (5) | |
O2 | 0.1562 (3) | 0.37418 (11) | 0.26792 (12) | 0.0791 (5) | |
O3 | −0.2465 (3) | 0.53369 (11) | 0.15962 (9) | 0.0622 (4) | |
N1 | −0.0008 (3) | 0.57463 (11) | 0.33181 (9) | 0.0424 (4) | |
N2 | −0.2805 (3) | 0.59824 (13) | 0.43940 (10) | 0.0574 (4) | |
N3 | −0.0337 (3) | 0.37691 (12) | 0.31638 (12) | 0.0589 (4) | |
C1 | −0.1098 (3) | 0.47575 (13) | 0.35252 (12) | 0.0464 (4) | |
C2 | −0.2784 (4) | 0.49243 (16) | 0.41793 (12) | 0.0554 (5) | |
H2B | −0.3781 | 0.4389 | 0.4442 | 0.067* | |
C3 | −0.1137 (4) | 0.64611 (14) | 0.38648 (11) | 0.0485 (4) | |
C4 | −0.0467 (5) | 0.76284 (16) | 0.38973 (15) | 0.0728 (6) | |
H4A | −0.1214 | 0.7951 | 0.4404 | 0.109* | |
H4B | −0.1305 | 0.7965 | 0.3346 | 0.109* | |
H4C | 0.1552 | 0.7725 | 0.3963 | 0.109* | |
C5 | 0.1509 (3) | 0.60187 (13) | 0.25566 (11) | 0.0444 (4) | |
H5A | 0.3240 | 0.5598 | 0.2597 | 0.053* | |
H5B | 0.2034 | 0.6775 | 0.2595 | 0.053* | |
C6 | −0.0235 (3) | 0.58087 (13) | 0.16507 (12) | 0.0451 (4) | |
C7 | 0.1011 (4) | 0.62131 (17) | 0.08469 (13) | 0.0653 (5) | |
H7A | −0.0270 | 0.6069 | 0.0307 | 0.098* | |
H7B | 0.2783 | 0.5855 | 0.0810 | 0.098* | |
H7C | 0.1326 | 0.6976 | 0.0905 | 0.098* |