x | y | z | Uiso*/Ueq | ||
C1 | 1.2514 (5) | 0.7762 (5) | 0.1396 (3) | 0.0712 (11) | |
H1A | 1.242455 | 0.690853 | 0.068934 | 0.107* | |
H1B | 1.283901 | 0.870031 | 0.124947 | 0.107* | |
H1C | 1.365551 | 0.776131 | 0.19115 | 0.107* | |
C2 | 1.0513 (4) | 0.8911 (3) | 0.2981 (2) | 0.0429 (6) | |
H2A | 1.085517 | 0.986567 | 0.284191 | 0.051* | |
H2B | 1.167221 | 0.892502 | 0.350502 | 0.051* | |
C3 | 0.8371 (4) | 0.8786 (3) | 0.3512 (2) | 0.0428 (6) | |
H3A | 0.847548 | 0.963711 | 0.423379 | 0.051* | |
H3B | 0.722435 | 0.883465 | 0.301016 | 0.051* | |
C4 | 0.7745 (4) | 0.6017 (3) | 0.2629 (2) | 0.0432 (6) | |
H4A | 0.656473 | 0.596833 | 0.210215 | 0.052* | |
H4B | 0.745692 | 0.506984 | 0.277895 | 0.052* | |
C5 | 0.9887 (4) | 0.6188 (3) | 0.2099 (2) | 0.0424 (6) | |
H5A | 1.10447 | 0.614721 | 0.259906 | 0.051* | |
H5B | 0.980005 | 0.534325 | 0.137531 | 0.051* | |
C6 | 0.6076 (4) | 0.2567 (3) | 0.3636 (2) | 0.0296 (5) | |
C7 | 0.6850 (4) | 0.1909 (3) | 0.2577 (2) | 0.0339 (5) | |
H7 | 0.812059 | 0.153084 | 0.253927 | 0.041* | |
C8 | 0.5770 (4) | 0.1804 (3) | 0.1574 (2) | 0.0355 (5) | |
H8 | 0.629598 | 0.134593 | 0.086951 | 0.043* | |
C9 | 0.3881 (4) | 0.2396 (3) | 0.1635 (2) | 0.0312 (5) | |
C10 | 0.3100 (4) | 0.3057 (3) | 0.2684 (2) | 0.0332 (5) | |
H10 | 0.184232 | 0.345025 | 0.272511 | 0.04* | |
C11 | 0.4189 (4) | 0.3135 (3) | 0.3679 (2) | 0.0336 (5) | |
H11 | 0.364548 | 0.357276 | 0.438151 | 0.04* | |
C12 | 0.7285 (4) | 0.2674 (3) | 0.4722 (2) | 0.0345 (5) | |
I1 | 0.22668 (3) | 0.23210 (2) | 0.01333 (2) | 0.03947 (7) | |
N1 | 1.0417 (3) | 0.7631 (3) | 0.19094 (18) | 0.0384 (5) | |
N2 | 0.7815 (3) | 0.7327 (3) | 0.37083 (19) | 0.0393 (5) | |
O1 | 0.6295 (3) | 0.2895 (3) | 0.56080 (16) | 0.0567 (6) | |
O2 | 0.9237 (3) | 0.2528 (3) | 0.46569 (16) | 0.0467 (5) | |
H21 | 0.876 (4) | 0.728 (4) | 0.420 (2) | 0.056* | |
H22 | 0.653 (4) | 0.728 (4) | 0.400 (3) | 0.056* |