x | y | z | Uiso*/Ueq | ||
S1 | 0.35142 (6) | 0.68528 (6) | 0.47728 (3) | 0.04252 (17) | |
S2 | −0.03291 (7) | 0.79117 (6) | 0.57333 (4) | 0.04677 (17) | |
O1 | 0.2992 (3) | 1.2011 (2) | 0.90981 (13) | 0.0693 (5) | |
O2 | 0.6287 (3) | 1.1616 (2) | 0.95686 (12) | 0.0661 (4) | |
N1 | −0.0218 (2) | 0.6472 (2) | 0.36963 (12) | 0.0407 (3) | |
N2 | 0.4734 (2) | 1.0512 (2) | 0.78894 (12) | 0.0465 (4) | |
C1 | 0.1020 (3) | 0.5814 (2) | 0.29599 (14) | 0.0370 (4) | |
C2 | 0.0334 (3) | 0.5093 (3) | 0.18583 (15) | 0.0466 (4) | |
H2 | −0.1048 | 0.5029 | 0.1556 | 0.056* | |
C3 | 0.1746 (3) | 0.4474 (3) | 0.12252 (15) | 0.0500 (4) | |
H3 | 0.1301 | 0.3982 | 0.0492 | 0.060* | |
C4 | 0.3836 (3) | 0.4578 (2) | 0.16706 (16) | 0.0474 (4) | |
H4 | 0.4757 | 0.4152 | 0.1228 | 0.057* | |
C5 | 0.4548 (3) | 0.5301 (2) | 0.27549 (15) | 0.0424 (4) | |
H5 | 0.5937 | 0.5382 | 0.3050 | 0.051* | |
C6 | 0.3115 (3) | 0.5908 (2) | 0.33941 (14) | 0.0358 (3) | |
C7 | 0.0866 (3) | 0.7046 (2) | 0.46521 (14) | 0.0370 (4) | |
C8 | 0.1759 (3) | 0.8424 (2) | 0.68809 (14) | 0.0441 (4) | |
H8A | 0.1174 | 0.8441 | 0.7549 | 0.053* | |
H8B | 0.2621 | 0.7503 | 0.6824 | 0.053* | |
C9 | 0.3115 (3) | 1.0177 (2) | 0.69552 (15) | 0.0474 (4) | |
H9A | 0.3729 | 1.0166 | 0.6296 | 0.057* | |
H9B | 0.2267 | 1.1109 | 0.7014 | 0.057* | |
C10 | 0.6791 (3) | 1.0058 (3) | 0.78669 (19) | 0.0533 (5) | |
H10A | 0.7520 | 1.0668 | 0.7389 | 0.064* | |
H10B | 0.6755 | 0.8806 | 0.7642 | 0.064* | |
C11 | 0.7754 (4) | 1.0685 (4) | 0.9048 (2) | 0.0683 (6) | |
H11A | 0.8023 | 0.9698 | 0.9390 | 0.082* | |
H11B | 0.9054 | 1.1453 | 0.9106 | 0.082* | |
C12 | 0.4514 (3) | 1.1428 (2) | 0.88637 (15) | 0.0480 (4) |