x | y | z | Uiso*/Ueq | ||
S1 | 0.51163 (5) | 0.03617 (7) | 0.64470 (3) | 0.0440 (3) | |
O1 | 0.48265 (19) | −0.0655 (2) | 0.59612 (9) | 0.0590 (6) | |
O2 | 0.41953 (16) | 0.0823 (2) | 0.68398 (9) | 0.0561 (5) | |
O3 | 0.87638 (18) | 0.0318 (2) | 0.72055 (10) | 0.0567 (6) | |
N1 | 0.6163 (2) | −0.0329 (2) | 0.69058 (11) | 0.0464 (6) | |
H1 | 0.614 (3) | 0.002 (3) | 0.7255 (9) | 0.056* | |
C1 | 0.7115 (3) | 0.5726 (4) | 0.52722 (19) | 0.0769 (10) | |
H1A | 0.7314 | 0.6430 | 0.5592 | 0.115* | |
H1B | 0.6528 | 0.6126 | 0.4973 | 0.115* | |
H1C | 0.7827 | 0.5473 | 0.5066 | 0.115* | |
C2 | 0.6609 (2) | 0.4389 (3) | 0.55625 (15) | 0.0518 (7) | |
C3 | 0.6610 (2) | 0.4248 (3) | 0.62001 (15) | 0.0533 (7) | |
H3 | 0.6933 | 0.4992 | 0.6452 | 0.064* | |
C4 | 0.6151 (2) | 0.3047 (3) | 0.64781 (13) | 0.0488 (7) | |
H4 | 0.6153 | 0.2980 | 0.6911 | 0.059* | |
C5 | 0.5681 (2) | 0.1927 (3) | 0.60972 (12) | 0.0398 (6) | |
C6 | 0.5678 (2) | 0.2038 (3) | 0.54560 (13) | 0.0512 (7) | |
H6 | 0.5374 | 0.1288 | 0.5202 | 0.061* | |
C7 | 0.6131 (3) | 0.3270 (3) | 0.51958 (14) | 0.0594 (8) | |
H7 | 0.6116 | 0.3352 | 0.4763 | 0.071* | |
C8 | 0.7215 (3) | −0.1019 (3) | 0.66646 (15) | 0.0578 (8) | |
H8A | 0.6986 | −0.1426 | 0.6257 | 0.069* | |
H8B | 0.7461 | −0.1816 | 0.6939 | 0.069* | |
C9 | 0.8272 (3) | −0.0037 (4) | 0.66034 (14) | 0.0566 (8) | |
H9A | 0.8873 | −0.0518 | 0.6369 | 0.068* | |
H9B | 0.8019 | 0.0839 | 0.6381 | 0.068* | |
C10 | 0.9623 (3) | 0.1465 (3) | 0.72024 (14) | 0.0570 (8) | |
H10A | 0.9210 | 0.2387 | 0.7150 | 0.068* | |
H10B | 1.0129 | 0.1338 | 0.6855 | 0.068* |