x | y | z | Uiso*/Ueq | ||
S | 0.73212 (5) | 0.63256 (5) | 0.04928 (3) | 0.03039 (12) | |
F | 0.30035 (14) | 0.21264 (13) | 0.37311 (11) | 0.0513 (3) | |
O1 | 0.84250 (14) | 0.43881 (13) | 0.42317 (9) | 0.0288 (2) | |
O2 | 1.04499 (16) | 0.88742 (15) | 0.21928 (13) | 0.0436 (3) | |
O3 | 0.75373 (16) | 0.90527 (15) | 0.20563 (13) | 0.0449 (3) | |
O4 | 0.75098 (17) | 0.49556 (16) | −0.02040 (11) | 0.0415 (3) | |
C1 | 0.73869 (19) | 0.53270 (18) | 0.21918 (13) | 0.0263 (3) | |
C2 | 0.63718 (19) | 0.42498 (17) | 0.29942 (13) | 0.0261 (3) | |
C3 | 0.4978 (2) | 0.37061 (19) | 0.27953 (15) | 0.0309 (3) | |
H3 | 0.4480 | 0.4036 | 0.1981 | 0.037* | |
C4 | 0.4390 (2) | 0.26551 (19) | 0.38775 (17) | 0.0352 (3) | |
C5 | 0.5098 (2) | 0.2096 (2) | 0.51151 (16) | 0.0375 (4) | |
H5 | 0.4641 | 0.1377 | 0.5804 | 0.045* | |
C6 | 0.6489 (2) | 0.26217 (19) | 0.53113 (15) | 0.0342 (3) | |
H6 | 0.7000 | 0.2268 | 0.6124 | 0.041* | |
C7 | 0.70799 (19) | 0.36995 (18) | 0.42381 (14) | 0.0275 (3) | |
C8 | 0.85804 (19) | 0.53640 (18) | 0.29708 (13) | 0.0264 (3) | |
C9 | 0.9967 (2) | 0.62392 (19) | 0.27115 (14) | 0.0290 (3) | |
H9A | 1.0886 | 0.5816 | 0.2024 | 0.035* | |
H9B | 1.0611 | 0.5919 | 0.3506 | 0.035* | |
C10 | 0.9129 (2) | 0.82024 (19) | 0.22925 (14) | 0.0296 (3) | |
C11 | 0.9865 (3) | 1.0754 (2) | 0.1780 (3) | 0.0657 (6) | |
H11A | 0.9333 | 1.1147 | 0.0941 | 0.099* | |
H11B | 1.0924 | 1.1099 | 0.1701 | 0.099* | |
H11C | 0.8950 | 1.1261 | 0.2425 | 0.099* | |
C12 | 0.4904 (2) | 0.7705 (2) | 0.04906 (17) | 0.0386 (4) | |
H12A | 0.4625 | 0.8393 | −0.0388 | 0.058* | |
H12B | 0.4656 | 0.8458 | 0.1077 | 0.058* | |
H12C | 0.4139 | 0.7000 | 0.0782 | 0.058* |