x | y | z | Uiso*/Ueq | ||
S1 | 0.249987 (8) | 0.46794 (6) | 0.47989 (2) | 0.01892 (5) | |
O1 | 0.25370 (3) | 0.4617 (3) | 0.68801 (7) | 0.02618 (18) | |
O2 | 0.40965 (3) | 0.51095 (18) | 1.13056 (5) | 0.01662 (11) | |
O3 | 0.49824 (2) | 0.83176 (19) | 1.08244 (5) | 0.01615 (10) | |
O4 | 0.51691 (3) | 1.02802 (19) | 0.90201 (5) | 0.01753 (11) | |
C1 | 0.28105 (4) | 0.5872 (3) | 0.37853 (6) | 0.02121 (16) | |
H1A | 0.2679 | 0.5465 | 0.3177 | 0.025* | |
C2 | 0.32771 (4) | 0.7503 (3) | 0.39595 (7) | 0.02174 (16) | |
H2A | 0.3493 | 0.8331 | 0.3477 | 0.026* | |
C3 | 0.34021 (3) | 0.7815 (2) | 0.49530 (5) | 0.01517 (12) | |
H3A | 0.3702 | 0.8844 | 0.5200 | 0.018* | |
C4 | 0.29890 (3) | 0.6283 (2) | 0.55061 (6) | 0.01440 (12) | |
C5 | 0.29401 (3) | 0.5880 (2) | 0.65390 (6) | 0.01617 (13) | |
C6 | 0.33914 (3) | 0.6919 (2) | 0.71401 (6) | 0.01613 (13) | |
H6A | 0.3662 | 0.8202 | 0.6878 | 0.019* | |
C7 | 0.34122 (3) | 0.6018 (2) | 0.80632 (6) | 0.01549 (13) | |
H7A | 0.3122 | 0.4836 | 0.8294 | 0.019* | |
C8 | 0.38341 (3) | 0.6666 (2) | 0.87483 (5) | 0.01329 (11) | |
C9 | 0.37539 (3) | 0.5559 (2) | 0.96864 (6) | 0.01372 (11) | |
H9A | 0.3441 | 0.4479 | 0.9849 | 0.016* | |
C10 | 0.41415 (3) | 0.6073 (2) | 1.03751 (5) | 0.01261 (11) | |
C11 | 0.46146 (3) | 0.7683 (2) | 1.01284 (5) | 0.01296 (11) | |
C12 | 0.46951 (3) | 0.8767 (2) | 0.91840 (5) | 0.01333 (12) | |
C13 | 0.43078 (3) | 0.8266 (2) | 0.84955 (6) | 0.01399 (12) | |
H13A | 0.4362 | 0.8985 | 0.7872 | 0.017* | |
C14 | 0.36101 (4) | 0.3538 (2) | 1.15750 (6) | 0.01816 (14) | |
H14A | 0.3619 | 0.3001 | 1.2243 | 0.027* | |
H14B | 0.3563 | 0.1516 | 1.1212 | 0.027* | |
H14C | 0.3322 | 0.5043 | 1.1452 | 0.027* | |
C15 | 0.54355 (3) | 0.6178 (2) | 1.07845 (8) | 0.02027 (15) | |
H15A | 0.5681 | 0.6817 | 1.1274 | 0.030* | |
H15B | 0.5601 | 0.6391 | 1.0172 | 0.030* | |
H15C | 0.5329 | 0.3890 | 1.0881 | 0.030* | |
C16 | 0.52661 (4) | 1.1439 (3) | 0.80695 (6) | 0.01969 (15) | |
H16A | 0.5598 | 1.2597 | 0.8049 | 0.030* | |
H16B | 0.4989 | 1.2941 | 0.7880 | 0.030* | |
H16C | 0.5276 | 0.9555 | 0.7642 | 0.030* |