x | y | z | Uiso*/Ueq | ||
C1 | −0.0254 (3) | 0.4086 (3) | 0.19209 (10) | 0.0516 (5) | |
H1 | −0.120858 | 0.476382 | 0.219629 | 0.062* | |
C2 | −0.0695 (3) | 0.3996 (3) | 0.12102 (11) | 0.0625 (6) | |
H2 | −0.194898 | 0.46027 | 0.101533 | 0.075* | |
C3 | 0.0686 (3) | 0.3024 (3) | 0.07854 (10) | 0.0597 (6) | |
H3 | 0.039957 | 0.298402 | 0.030279 | 0.072* | |
C4 | 0.2497 (3) | 0.2117 (3) | 0.10901 (10) | 0.0593 (6) | |
H4 | 0.343702 | 0.143909 | 0.08102 | 0.071* | |
C5 | 0.2964 (3) | 0.2181 (3) | 0.18024 (9) | 0.0512 (5) | |
H5 | 0.420732 | 0.154912 | 0.199433 | 0.061* | |
C6 | 0.1594 (2) | 0.3180 (2) | 0.22353 (8) | 0.0361 (4) | |
C7 | 0.0222 (3) | 0.3258 (2) | 0.34797 (8) | 0.0419 (4) | |
H7A | −0.026461 | 0.205915 | 0.354319 | 0.05* | |
H7B | −0.096084 | 0.40906 | 0.32889 | 0.05* | |
C8 | 0.0795 (3) | 0.3708 (2) | 0.42029 (9) | 0.0456 (4) | |
H8A | 0.116889 | 0.494094 | 0.414858 | 0.055* | |
H8B | −0.044531 | 0.359357 | 0.454053 | 0.055* | |
C9 | 0.4547 (3) | 0.2652 (3) | 0.39777 (9) | 0.0485 (5) | |
H9A | 0.574598 | 0.182967 | 0.416336 | 0.058* | |
H9B | 0.499661 | 0.386146 | 0.392734 | 0.058* | |
C10 | 0.3979 (3) | 0.2229 (3) | 0.32457 (9) | 0.0445 (4) | |
H10A | 0.520581 | 0.241283 | 0.29068 | 0.053* | |
H10B | 0.36928 | 0.097655 | 0.328948 | 0.053* | |
C11 | 0.2655 (3) | 0.2146 (2) | 0.63263 (10) | 0.0474 (5) | |
C12 | 0.3208 (3) | 0.2073 (2) | 0.71052 (9) | 0.0389 (4) | |
C13 | 0.1897 (3) | 0.1251 (2) | 0.76647 (10) | 0.0479 (5) | |
H13 | 0.067829 | 0.072733 | 0.755273 | 0.057* | |
C14 | 0.2386 (3) | 0.1207 (3) | 0.83782 (10) | 0.0496 (5) | |
H14 | 0.149875 | 0.065178 | 0.874461 | 0.06* | |
C15 | 0.4186 (3) | 0.1982 (2) | 0.85567 (9) | 0.0442 (4) | |
C16 | 0.5528 (3) | 0.2784 (2) | 0.80102 (9) | 0.0453 (4) | |
H16 | 0.675183 | 0.329713 | 0.812349 | 0.054* | |
C17 | 0.5021 (3) | 0.2808 (2) | 0.72949 (9) | 0.0424 (4) | |
H17 | 0.592994 | 0.333766 | 0.6929 | 0.051* | |
C18 | 0.6395 (4) | 0.2628 (4) | 0.94845 (12) | 0.0858 (8) | |
H13A | 0.643815 | 0.248303 | 1.000449 | 0.129* | |
H13B | 0.76663 | 0.201465 | 0.928951 | 0.129* | |
H13C | 0.63455 | 0.388125 | 0.929616 | 0.129* | |
N1 | 0.2079 (2) | 0.33487 (18) | 0.29565 (7) | 0.0359 (3) | |
N2 | 0.2652 (2) | 0.2489 (2) | 0.44963 (8) | 0.0434 (4) | |
O1 | 0.1058 (3) | 0.1395 (3) | 0.61995 (9) | 0.0873 (6) | |
O2 | 0.3847 (2) | 0.29717 (19) | 0.58441 (7) | 0.0598 (4) | |
O3 | 0.4517 (2) | 0.1895 (2) | 0.92816 (7) | 0.0620 (4) | |
OW1 | 0.2271 (2) | 0.8777 (2) | 0.46022 (8) | 0.0579 (4) | |
HN1 | 0.230 (3) | 0.131 (2) | 0.4565 (11) | 0.07* | |
HW1 | 0.120 (3) | 0.865 (3) | 0.4356 (11) | 0.07* | |
HN2 | 0.303 (3) | 0.270 (3) | 0.4956 (9) | 0.07* | |
HW2 | 0.336 (3) | 0.822 (3) | 0.4413 (12) | 0.07* |