x | y | z | Uiso*/Ueq | ||
S1 | 0.45599 (7) | 0.16653 (13) | 0.16380 (4) | 0.04320 (18) | |
S2 | 0.11323 (8) | 0.39993 (14) | 0.08953 (4) | 0.04637 (18) | |
O1 | 0.4104 (2) | −0.2094 (4) | 0.27828 (13) | 0.0563 (5) | |
O2 | −0.1208 (2) | 0.2157 (4) | 0.17817 (13) | 0.0531 (5) | |
C1 | 0.2829 (3) | −0.1090 (5) | 0.29623 (15) | 0.0361 (5) | |
C2 | 0.1629 (3) | 0.0454 (5) | 0.22544 (15) | 0.0342 (5) | |
C3 | −0.0288 (3) | 0.0456 (5) | 0.21677 (16) | 0.0377 (6) | |
C4 | −0.1148 (3) | −0.1726 (6) | 0.24704 (18) | 0.0482 (7) | |
H4A | −0.2388 | −0.1430 | 0.2380 | 0.072* | |
H4B | −0.0636 | −0.2046 | 0.3124 | 0.072* | |
H4C | −0.0971 | −0.3102 | 0.2101 | 0.072* | |
C5 | 0.2343 (3) | 0.1860 (5) | 0.16689 (14) | 0.0348 (5) | |
C6 | 0.4601 (4) | 0.4458 (6) | 0.1000 (2) | 0.0532 (7) | |
H6A | 0.4788 | 0.5824 | 0.1431 | 0.064* | |
H6B | 0.5552 | 0.4423 | 0.0679 | 0.064* | |
C7 | 0.2864 (4) | 0.4705 (7) | 0.0300 (2) | 0.0614 (9) | |
H7A | 0.2807 | 0.3597 | −0.0222 | 0.074* | |
H7B | 0.2720 | 0.6346 | 0.0055 | 0.074* | |
C8 | 0.2575 (3) | −0.1219 (5) | 0.39431 (15) | 0.0328 (5) | |
C9 | 0.3325 (3) | −0.3133 (5) | 0.45259 (16) | 0.0390 (5) | |
H9A | 0.3892 | −0.4378 | 0.4286 | 0.047* | |
C10 | 0.3233 (3) | −0.3194 (6) | 0.54551 (17) | 0.0459 (6) | |
H10A | 0.3714 | −0.4495 | 0.5836 | 0.055* | |
C11 | 0.2424 (3) | −0.1316 (6) | 0.58230 (17) | 0.0461 (7) | |
H11A | 0.2390 | −0.1337 | 0.6454 | 0.055* | |
C12 | 0.1671 (3) | 0.0579 (6) | 0.52532 (17) | 0.0438 (6) | |
H12A | 0.1111 | 0.1825 | 0.5497 | 0.053* | |
C13 | 0.1749 (3) | 0.0631 (5) | 0.43144 (16) | 0.0368 (5) | |
H13A | 0.1243 | 0.1917 | 0.3932 | 0.044* |