x | y | z | Uiso*/Ueq | Occ. (<1) | |
S1 | 0.32529 (2) | 0.46310 (4) | 0.24150 (3) | 0.01360 (14) | 0.833 (2) |
C1 | 0.26341 (15) | 0.55387 (19) | 0.1659 (2) | 0.0172 (5) | 0.833 (2) |
H1A | 0.2777 | 0.5884 | 0.1098 | 0.021* | 0.833 (2) |
C2 | 0.1909 (2) | 0.5709 (3) | 0.1958 (2) | 0.0187 (4) | 0.833 (2) |
H2 | 0.1493 | 0.6191 | 0.1646 | 0.022* | 0.833 (2) |
C3 | 0.18762 (10) | 0.5073 (2) | 0.2781 (2) | 0.0223 (5) | 0.833 (2) |
H3 | 0.1417 | 0.5081 | 0.3088 | 0.027* | 0.833 (2) |
S1' | 0.16790 (19) | 0.5096 (3) | 0.2790 (2) | 0.01360 (14) | 0.167 (2) |
C1' | 0.2016 (12) | 0.5693 (15) | 0.1820 (12) | 0.0172 (5) | 0.167 (2) |
H1' | 0.1703 | 0.6204 | 0.1384 | 0.021* | 0.167 (2) |
C2' | 0.2765 (11) | 0.5375 (13) | 0.1731 (14) | 0.0187 (4) | 0.167 (2) |
H2' | 0.3044 | 0.5617 | 0.1234 | 0.022* | 0.167 (2) |
C3' | 0.3071 (7) | 0.4624 (12) | 0.2493 (10) | 0.0223 (5) | 0.167 (2) |
H3' | 0.3588 | 0.4285 | 0.2565 | 0.027* | 0.167 (2) |
O1 | 0.19394 (5) | 0.34953 (7) | 0.42862 (7) | 0.0180 (2) | |
N1 | 0.32838 (6) | 0.32219 (8) | 0.44331 (8) | 0.0143 (2) | |
H1 | 0.3254 (10) | 0.2681 (13) | 0.4887 (12) | 0.023 (4)* | |
N2 | 0.39858 (6) | 0.33902 (8) | 0.40601 (7) | 0.0147 (2) | |
C4 | 0.25352 (7) | 0.44346 (9) | 0.31283 (8) | 0.0135 (2) | |
C5 | 0.25708 (7) | 0.36818 (9) | 0.39748 (9) | 0.0137 (2) | |
C6 | 0.46677 (7) | 0.30469 (9) | 0.45855 (9) | 0.0137 (2) | |
C7 | 0.54146 (7) | 0.31718 (10) | 0.41432 (9) | 0.0172 (3) | |
H7 | 0.5274 | 0.3575 | 0.3493 | 0.021* | |
C8 | 0.57170 (8) | 0.20454 (11) | 0.39590 (10) | 0.0216 (3) | |
H8A | 0.5290 | 0.1666 | 0.3464 | 0.026* | |
H8B | 0.6214 | 0.2095 | 0.3676 | 0.026* | |
C9 | 0.59118 (7) | 0.14246 (10) | 0.49565 (10) | 0.0194 (3) | |
H9 | 0.6107 | 0.0694 | 0.4835 | 0.023* | |
C10 | 0.51402 (7) | 0.13459 (10) | 0.53943 (10) | 0.0195 (3) | |
H10A | 0.5265 | 0.0941 | 0.6035 | 0.023* | |
H10B | 0.4706 | 0.0962 | 0.4914 | 0.023* | |
C11 | 0.48369 (7) | 0.24706 (10) | 0.55881 (9) | 0.0147 (2) | |
H11 | 0.4329 | 0.2428 | 0.5862 | 0.018* | |
C12 | 0.55174 (7) | 0.30665 (11) | 0.63301 (9) | 0.0193 (3) | |
H12A | 0.5328 | 0.3792 | 0.6449 | 0.023* | |
H12B | 0.5644 | 0.2687 | 0.6985 | 0.023* | |
C13 | 0.62905 (7) | 0.31363 (10) | 0.58972 (9) | 0.0177 (3) | |
H13 | 0.6731 | 0.3514 | 0.6388 | 0.021* | |
C14 | 0.60877 (7) | 0.37598 (10) | 0.49038 (10) | 0.0196 (3) | |
H14A | 0.6585 | 0.3830 | 0.4623 | 0.024* | |
H14B | 0.5897 | 0.4483 | 0.5028 | 0.024* | |
C15 | 0.65806 (7) | 0.20126 (10) | 0.57098 (9) | 0.0184 (3) | |
H15A | 0.6712 | 0.1615 | 0.6355 | 0.022* | |
H15B | 0.7084 | 0.2056 | 0.5439 | 0.022* |