x | y | z | Uiso*/Ueq | ||
O5 | 0.62447 (9) | 0.47253 (9) | 0.17678 (8) | 0.0374 (2) | |
O1 | 0.44791 (10) | 0.90069 (10) | 0.12081 (9) | 0.0441 (3) | |
H1 | 0.3758 | 0.8590 | 0.0943 | 0.066* | |
C11 | 0.52749 (12) | 0.68367 (13) | 0.14635 (9) | 0.0315 (3) | |
O6 | 0.29738 (10) | 0.70239 (10) | 0.06007 (9) | 0.0492 (3) | |
O2 | 0.69716 (11) | 0.99477 (10) | 0.21570 (8) | 0.0437 (3) | |
C2 | 0.67515 (14) | 0.86433 (13) | 0.20640 (10) | 0.0361 (3) | |
C12 | 0.63679 (13) | 0.60211 (13) | 0.18592 (10) | 0.0325 (3) | |
C10 | 0.39784 (13) | 0.63185 (13) | 0.09340 (10) | 0.0343 (3) | |
C13 | 0.50227 (13) | 0.41989 (13) | 0.12579 (10) | 0.0336 (3) | |
C4 | 0.76454 (13) | 0.64776 (14) | 0.23766 (11) | 0.0370 (3) | |
C8 | 0.26918 (14) | 0.43164 (14) | 0.02687 (11) | 0.0371 (3) | |
H8 | 0.1934 | 0.4798 | −0.0049 | 0.045* | |
O3 | 0.89800 (11) | 0.84290 (12) | 0.29620 (11) | 0.0599 (4) | |
C3 | 0.78279 (13) | 0.78037 (15) | 0.24786 (11) | 0.0385 (3) | |
C9 | 0.38925 (13) | 0.49338 (13) | 0.08075 (10) | 0.0331 (3) | |
C1 | 0.54949 (13) | 0.81769 (13) | 0.15801 (10) | 0.0331 (3) | |
O7 | 0.14973 (11) | 0.23466 (11) | −0.03034 (10) | 0.0517 (3) | |
H7 | 0.0882 | 0.2864 | −0.0560 | 0.078* | |
C7 | 0.26315 (14) | 0.30003 (14) | 0.02086 (11) | 0.0386 (3) | |
O4 | 0.86845 (10) | 0.56302 (11) | 0.26990 (9) | 0.0500 (3) | |
C5 | 0.49582 (15) | 0.28688 (14) | 0.12202 (11) | 0.0398 (3) | |
H5 | 0.5711 | 0.2383 | 0.1543 | 0.048* | |
C6 | 0.37723 (16) | 0.22793 (14) | 0.07010 (11) | 0.0421 (3) | |
H6 | 0.3727 | 0.1391 | 0.0677 | 0.051* | |
C15 | 1.02209 (16) | 0.7842 (2) | 0.32996 (18) | 0.0673 (5) | |
H15A | 1.0321 | 0.7309 | 0.3881 | 0.101* | |
H15B | 1.0895 | 0.8486 | 0.3492 | 0.101* | |
H15C | 1.0297 | 0.7329 | 0.2756 | 0.101* | |
C14 | 0.7299 (2) | 1.04398 (18) | 0.13328 (16) | 0.0595 (5) | |
H14A | 0.8034 | 0.9974 | 0.1290 | 0.089* | |
H14B | 0.7526 | 1.1328 | 0.1453 | 0.089* | |
H14C | 0.6557 | 1.0349 | 0.0700 | 0.089* | |
C16 | 0.8790 (2) | 0.4892 (2) | 0.35909 (16) | 0.0701 (6) | |
H16A | 0.8795 | 0.5457 | 0.4132 | 0.105* | |
H16B | 0.9592 | 0.4406 | 0.3811 | 0.105* | |
H16C | 0.8052 | 0.4321 | 0.3425 | 0.105* | |
O8 | 0.92795 (15) | 0.37653 (18) | 0.88918 (14) | 0.0695 (4) | |
H15 | 0.862 (4) | 0.361 (4) | 0.905 (3) | 0.123 (12)* | |
H16 | 0.912 (3) | 0.436 (3) | 0.860 (2) | 0.104 (12)* |