x | y | z | Uiso*/Ueq | ||
C1 | 0.5691 (4) | 0.8192 (4) | 0.17484 (12) | 0.0759 (7) | |
H1 | 0.680156 | 0.871649 | 0.206032 | 0.091* | |
C2 | 0.5967 (5) | 0.8079 (4) | 0.10029 (13) | 0.0979 (9) | |
H2 | 0.725499 | 0.854112 | 0.082348 | 0.117* | |
C3 | 0.4416 (5) | 0.7314 (4) | 0.05273 (13) | 0.0932 (8) | |
H3 | 0.462879 | 0.722711 | 0.002561 | 0.112* | |
C4 | 0.2536 (5) | 0.6676 (4) | 0.08016 (13) | 0.0966 (9) | |
H4 | 0.144014 | 0.6157 | 0.048248 | 0.116* | |
C5 | 0.2219 (4) | 0.6782 (3) | 0.15497 (11) | 0.0776 (7) | |
H5 | 0.091389 | 0.633226 | 0.172178 | 0.093* | |
C6 | 0.3793 (3) | 0.7539 (2) | 0.20421 (9) | 0.0472 (4) | |
C7 | 0.5393 (3) | 0.8071 (3) | 0.32686 (9) | 0.0497 (4) | |
H7A | 0.626347 | 0.904686 | 0.31147 | 0.06* | |
H7B | 0.626834 | 0.703106 | 0.320724 | 0.06* | |
C8 | 0.4853 (3) | 0.8506 (3) | 0.40599 (10) | 0.0534 (5) | |
H8A | 0.619196 | 0.865746 | 0.435007 | 0.064* | |
H8B | 0.410139 | 0.960943 | 0.413335 | 0.064* | |
C9 | 0.1390 (3) | 0.6889 (3) | 0.38632 (10) | 0.0554 (5) | |
H9A | 0.062182 | 0.798326 | 0.394853 | 0.067* | |
H9B | 0.04531 | 0.594989 | 0.401599 | 0.067* | |
C10 | 0.1858 (3) | 0.6476 (3) | 0.30616 (9) | 0.0502 (5) | |
H10A | 0.241603 | 0.529612 | 0.296889 | 0.06* | |
H10B | 0.050244 | 0.647749 | 0.278608 | 0.06* | |
C11 | 0.3129 (3) | 0.7088 (2) | 0.62385 (9) | 0.0445 (4) | |
C12 | 0.2060 (3) | 0.7367 (2) | 0.69737 (9) | 0.0413 (4) | |
C13 | 0.2989 (3) | 0.6749 (3) | 0.75734 (10) | 0.0535 (5) | |
H13 | 0.428845 | 0.615675 | 0.752062 | 0.064* | |
C14 | 0.2008 (4) | 0.7003 (3) | 0.82503 (11) | 0.0656 (6) | |
H14 | 0.265661 | 0.657329 | 0.864556 | 0.079* | |
C15 | 0.0081 (4) | 0.7885 (3) | 0.83492 (11) | 0.0611 (5) | |
C16 | −0.0837 (3) | 0.8490 (3) | 0.77515 (11) | 0.0583 (5) | |
H16 | −0.214079 | 0.907628 | 0.780509 | 0.07* | |
C17 | 0.0129 (3) | 0.8250 (2) | 0.70719 (10) | 0.0484 (4) | |
H17 | −0.052163 | 0.868519 | 0.667839 | 0.058* | |
C18 | −0.0996 (5) | 0.8177 (4) | 0.90877 (13) | 0.0968 (9) | |
H18A | −0.171921 | 0.927853 | 0.913714 | 0.145* | |
H18B | 0.009588 | 0.821099 | 0.946613 | 0.145* | |
H18C | −0.204829 | 0.722525 | 0.912877 | 0.145* | |
N1 | 0.3441 (2) | 0.77371 (19) | 0.28025 (7) | 0.0434 (4) | |
N2 | 0.3444 (2) | 0.7069 (2) | 0.43010 (8) | 0.0487 (4) | |
O1 | 0.4844 (2) | 0.62506 (19) | 0.61816 (7) | 0.0632 (4) | |
O2 | 0.2244 (2) | 0.77468 (19) | 0.57233 (7) | 0.0601 (4) | |
OW1 | 0.7937 (3) | 0.7241 (4) | 0.52207 (11) | 0.1232 (9) | |
HW1 | 0.926 (4) | 0.748 (5) | 0.542 (2) | 0.177 (17)* | |
HW2 | 0.702 (4) | 0.704 (4) | 0.5539 (13) | 0.119 (11)* | |
HN1 | 0.415 (3) | 0.605 (2) | 0.4225 (11) | 0.061 (6)* | |
HN2 | 0.310 (3) | 0.731 (3) | 0.4786 (9) | 0.065 (6)* |