x | y | z | Uiso*/Ueq | ||
O1 | 0.25296 (7) | 0.8356 (2) | 0.42022 (10) | 0.0497 (4) | |
H1 | 0.2079 | 0.7986 | 0.4079 | 0.075* | |
O2 | 0.03919 (7) | 0.9056 (3) | 0.38193 (10) | 0.0550 (4) | |
O3 | 0.49908 (7) | 0.5665 (3) | 0.36425 (10) | 0.0584 (4) | |
O4 | −0.29179 (7) | 0.4958 (3) | 0.40281 (9) | 0.0479 (4) | |
N1 | 0.13948 (8) | 0.5576 (3) | 0.35985 (10) | 0.0426 (4) | |
N2 | 0.06360 (9) | 0.5020 (3) | 0.35871 (12) | 0.0449 (4) | |
C1 | 0.26537 (10) | 0.4485 (3) | 0.34327 (12) | 0.0375 (4) | |
C2 | 0.29666 (10) | 0.6628 (3) | 0.38635 (12) | 0.0381 (4) | |
C3 | 0.37456 (10) | 0.7056 (3) | 0.39548 (13) | 0.0419 (5) | |
H3 | 0.3949 | 0.8454 | 0.4258 | 0.050* | |
C4 | 0.42197 (10) | 0.5403 (4) | 0.35937 (13) | 0.0425 (5) | |
C5 | 0.39204 (11) | 0.3296 (4) | 0.31433 (13) | 0.0464 (5) | |
H5 | 0.4237 | 0.2202 | 0.2889 | 0.056* | |
C6 | 0.31544 (11) | 0.2860 (4) | 0.30805 (13) | 0.0437 (5) | |
H6 | 0.2959 | 0.1430 | 0.2793 | 0.052* | |
C7 | 0.18490 (10) | 0.3929 (4) | 0.33728 (12) | 0.0422 (5) | |
H7 | 0.1665 | 0.2389 | 0.3172 | 0.051* | |
C8 | 0.01619 (10) | 0.6911 (4) | 0.37443 (12) | 0.0407 (4) | |
C9 | −0.06413 (10) | 0.6228 (3) | 0.38074 (12) | 0.0375 (4) | |
C10 | −0.10700 (10) | 0.7816 (4) | 0.42781 (13) | 0.0429 (5) | |
H10 | −0.0843 | 0.9226 | 0.4548 | 0.052* | |
C11 | −0.18213 (11) | 0.7328 (4) | 0.43479 (13) | 0.0435 (5) | |
H11 | −0.2100 | 0.8399 | 0.4666 | 0.052* | |
C12 | −0.21659 (10) | 0.5231 (3) | 0.39429 (12) | 0.0374 (4) | |
C13 | −0.17495 (10) | 0.3632 (4) | 0.34784 (13) | 0.0437 (5) | |
H13 | −0.1979 | 0.2228 | 0.3206 | 0.052* | |
C14 | −0.09899 (10) | 0.4126 (4) | 0.34193 (13) | 0.0436 (5) | |
H14 | −0.0709 | 0.3030 | 0.3114 | 0.052* | |
C15 | 0.53412 (11) | 0.7685 (4) | 0.41459 (18) | 0.0660 (7) | |
H15A | 0.5154 | 0.9209 | 0.3873 | 0.099* | |
H15B | 0.5884 | 0.7599 | 0.4150 | 0.099* | |
H15C | 0.5222 | 0.7609 | 0.4754 | 0.099* | |
C16 | −0.32941 (11) | 0.2764 (4) | 0.36696 (15) | 0.0531 (5) | |
H16A | −0.3256 | 0.2651 | 0.3035 | 0.080* | |
H16B | −0.3821 | 0.2823 | 0.3759 | 0.080* | |
H16C | −0.3057 | 0.1346 | 0.3974 | 0.080* | |
H2 | 0.0500 (13) | 0.341 (2) | 0.3594 (16) | 0.080* |