x | y | z | Uiso*/Ueq | Occ. (<1) | |
O1A | 0.59450 (13) | 0.07629 (9) | 0.94578 (11) | 0.0314 (3) | |
N1A | 0.29084 (17) | 0.16378 (11) | 0.92423 (13) | 0.0288 (4) | |
N2A | 0.38633 (15) | 0.09048 (11) | 0.94491 (12) | 0.0271 (4) | |
C1A | 0.32664 (18) | 0.24453 (13) | 0.88567 (14) | 0.0246 (4) | |
C2A | 0.48806 (18) | 0.12736 (13) | 0.92718 (14) | 0.0244 (4) | |
C3A | 0.44982 (17) | 0.22608 (12) | 0.88657 (14) | 0.0239 (4) | |
C4A | 0.53044 (18) | 0.29233 (13) | 0.85342 (16) | 0.0298 (4) | |
C5A | 0.6668 (2) | 0.30005 (15) | 0.90864 (18) | 0.0396 (5) | |
H5AA | 0.7066 | 0.2645 | 0.9671 | 0.047* | |
C6A | 0.7438 (2) | 0.36080 (18) | 0.8767 (3) | 0.0602 (8) | |
H6AA | 0.8348 | 0.3652 | 0.9137 | 0.072* | |
C7A | 0.6861 (3) | 0.41400 (18) | 0.7910 (3) | 0.0685 (10) | |
H7AA | 0.7379 | 0.4549 | 0.7704 | 0.082* | |
C8A | 0.5513 (3) | 0.40705 (19) | 0.7351 (2) | 0.0604 (8) | |
H8AA | 0.5124 | 0.4430 | 0.6768 | 0.072* | |
C9A | 0.4736 (2) | 0.34624 (16) | 0.76586 (18) | 0.0401 (5) | |
H9AA | 0.3829 | 0.3415 | 0.7278 | 0.048* | |
C10A | 0.23852 (19) | 0.33569 (14) | 0.85216 (16) | 0.0306 (4) | |
H10C | 0.1769 | 0.3258 | 0.7845 | 0.037* | |
H10D | 0.2927 | 0.3942 | 0.8546 | 0.037* | |
C11A | 0.1600 (2) | 0.35798 (17) | 0.91215 (19) | 0.0450 (6) | |
H11D | 0.1092 | 0.4187 | 0.8884 | 0.068* | |
H11E | 0.2199 | 0.3668 | 0.9795 | 0.068* | |
H11F | 0.1013 | 0.3025 | 0.9064 | 0.068* | |
O1B | 1.07863 (12) | 0.06616 (9) | 0.92558 (9) | 0.0254 (3) | |
N1B | 0.73764 (15) | 0.06391 (11) | 0.83821 (12) | 0.0275 (4) | |
N2B | 0.86312 (14) | 0.04445 (11) | 0.90754 (12) | 0.0228 (3) | |
C1B | 0.74826 (19) | 0.11417 (14) | 0.76342 (15) | 0.0303 (4) | |
C2B | 0.95360 (17) | 0.07674 (12) | 0.87492 (13) | 0.0215 (4) | |
C3B | 0.88097 (18) | 0.12138 (13) | 0.78120 (14) | 0.0251 (4) | |
C4B | 0.9388 (2) | 0.16679 (13) | 0.71837 (14) | 0.0291 (4) | |
C5B | 1.0386 (2) | 0.11721 (15) | 0.70194 (16) | 0.0361 (5) | |
H5BA | 1.0694 | 0.0549 | 0.7315 | 0.043* | |
C6B | 1.0928 (3) | 0.15955 (16) | 0.64204 (18) | 0.0505 (7) | |
H6BA | 1.1588 | 0.1253 | 0.6312 | 0.061* | |
C7B | 1.0483 (3) | 0.25308 (17) | 0.59830 (17) | 0.0541 (7) | |
H7BA | 1.0840 | 0.2814 | 0.5579 | 0.065* | |
C8B | 0.9506 (3) | 0.30381 (16) | 0.61513 (16) | 0.0459 (6) | |
H8BA | 0.9209 | 0.3665 | 0.5862 | 0.055* | |
C9B | 0.8973 (2) | 0.26163 (15) | 0.67475 (15) | 0.0360 (5) | |
H9BA | 0.8326 | 0.2969 | 0.6862 | 0.043* | |
C10B | 0.6280 (2) | 0.14952 (18) | 0.67717 (18) | 0.0499 (6) | |
H10A | 0.5568 | 0.1581 | 0.6980 | 0.060* | 0.508 (5) |
H10B | 0.6473 | 0.2157 | 0.6583 | 0.060* | 0.508 (5) |
H10E | 0.6172 | 0.2209 | 0.6868 | 0.060* | 0.492 (5) |
H10F | 0.6477 | 0.1442 | 0.6202 | 0.060* | 0.492 (5) |
C11B | 0.5811 (4) | 0.0874 (3) | 0.5935 (3) | 0.0427 (13) | 0.508 (5) |
H11A | 0.5027 | 0.1168 | 0.5442 | 0.064* | 0.508 (5) |
H11B | 0.5608 | 0.0215 | 0.6104 | 0.064* | 0.508 (5) |
H11C | 0.6481 | 0.0816 | 0.5689 | 0.064* | 0.508 (5) |
C11C | 0.5046 (3) | 0.1031 (3) | 0.6533 (4) | 0.0395 (13) | 0.492 (5) |
H11G | 0.4387 | 0.1358 | 0.5970 | 0.059* | 0.492 (5) |
H11H | 0.4805 | 0.1090 | 0.7075 | 0.059* | 0.492 (5) |
H11I | 0.5101 | 0.0329 | 0.6390 | 0.059* | 0.492 (5) |
H1NB | 0.669 (2) | 0.0719 (16) | 0.8648 (17) | 0.043 (6)* | |
H2NB | 0.881 (2) | 0.0033 (18) | 0.9694 (18) | 0.053 (7)* | |
H2NA | 0.384 (2) | 0.029 (2) | 0.9802 (19) | 0.060 (8)* | |
H1NA | 0.204 (3) | 0.1404 (18) | 0.9184 (19) | 0.052 (7)* |