x | y | z | Uiso*/Ueq | Occ. (<1) | |
C5 | 0.38240 (15) | 0.4009 (3) | 0.51713 (17) | 0.0528 (6) | |
H5 | 0.3785 | 0.4057 | 0.4506 | 0.063* | |
C4 | 0.31404 (17) | 0.4833 (3) | 0.55659 (18) | 0.0588 (6) | |
H4 | 0.2645 | 0.5445 | 0.5167 | 0.071* | |
C3 | 0.31902 (17) | 0.4750 (3) | 0.65504 (18) | 0.0606 (6) | |
H3 | 0.2730 | 0.5312 | 0.6816 | 0.073* | |
C2 | 0.39148 (17) | 0.3842 (3) | 0.71373 (17) | 0.0626 (7) | |
H2 | 0.3936 | 0.3768 | 0.7799 | 0.075* | |
C1 | 0.46139 (16) | 0.3037 (3) | 0.67530 (16) | 0.0545 (6) | |
H1 | 0.5114 | 0.2445 | 0.7158 | 0.065* | |
C6 | 0.45697 (14) | 0.3111 (3) | 0.57640 (15) | 0.0460 (5) | |
C7 | 0.52769 (15) | 0.2248 (3) | 0.52830 (15) | 0.0480 (5) | |
C8 | 0.69838 (15) | 0.1216 (3) | 0.55880 (15) | 0.0477 (5) | |
C9 | 0.75837 (16) | −0.0258 (3) | 0.43410 (16) | 0.0563 (6) | |
H9A | 0.7547 | −0.1438 | 0.4503 | 0.068* | |
H9B | 0.8220 | 0.0155 | 0.4671 | 0.068* | |
C10 | 0.74863 (17) | −0.0094 (3) | 0.32743 (17) | 0.0526 (5) | |
C11 | 0.82911 (19) | −0.0919 (4) | 0.20303 (18) | 0.0751 (8) | |
H11A | 0.8197 | 0.0214 | 0.1771 | 0.090* | |
H11B | 0.7797 | −0.1641 | 0.1645 | 0.090* | |
C12 | 0.92815 (19) | −0.1537 (4) | 0.1994 (2) | 0.0751 (8) | |
H12A | 0.9353 | −0.2686 | 0.2231 | 0.090* | |
H12B | 0.9765 | −0.0855 | 0.2424 | 0.090* | |
C13 | 0.9475 (2) | −0.1483 (5) | 0.0995 (2) | 0.0897 (9) | |
H13A | 0.9217 | −0.2484 | 0.0637 | 0.108* | |
H13B | 0.9161 | −0.0507 | 0.0648 | 0.108* | |
C14' | 1.050 (2) | −0.139 (7) | 0.108 (2) | 0.111 (3) | 0.18 (2) |
H14E | 1.0727 | −0.0282 | 0.1288 | 0.166* | 0.18 (2) |
H14F | 1.0652 | −0.1633 | 0.0466 | 0.166* | 0.18 (2) |
H14D | 1.0819 | −0.2199 | 0.1554 | 0.166* | 0.18 (2) |
C14 | 1.0392 (5) | −0.2373 (17) | 0.0885 (5) | 0.111 (3) | 0.82 (2) |
H14B | 1.0456 | −0.2286 | 0.0223 | 0.166* | 0.82 (2) |
H14A | 1.0356 | −0.3537 | 0.1055 | 0.166* | 0.82 (2) |
H14C | 1.0947 | −0.1862 | 0.1306 | 0.166* | 0.82 (2) |
S1 | 0.80227 (5) | 0.10476 (11) | 0.64102 (5) | 0.0744 (3) | |
O1 | 0.50502 (11) | 0.1805 (2) | 0.44383 (11) | 0.0647 (5) | |
O2 | 0.68594 (12) | 0.0656 (2) | 0.27269 (13) | 0.0709 (5) | |
O3 | 0.82116 (12) | −0.0935 (2) | 0.30338 (11) | 0.0648 (5) | |
N1 | 0.61986 (12) | 0.2016 (2) | 0.58446 (12) | 0.0492 (5) | |
H1A | 0.6302 | 0.2413 | 0.6425 | 0.059* | |
N2 | 0.68439 (13) | 0.0652 (2) | 0.46870 (13) | 0.0517 (5) | |
H2A | 0.6292 | 0.0835 | 0.4295 | 0.062* |