x | y | z | Uiso*/Ueq | ||
C1 | 0.9665 (3) | 0.7781 (5) | 0.84935 (11) | 0.0179 (5) | |
N1 | 0.7888 (3) | 0.8052 (4) | 0.79739 (10) | 0.0185 (4) | |
H1 | 0.7443 | 0.9655 | 0.7857 | 0.022* | |
N2 | 0.0763 (3) | −0.1088 (4) | 0.56535 (9) | 0.0180 (4) | |
O1 | 0.7161 (3) | 0.3675 (4) | 0.77761 (9) | 0.0227 (4) | |
O2 | 0.5362 (3) | 0.6890 (3) | 0.71426 (8) | 0.0196 (4) | |
O3 | −0.1087 (2) | −0.1712 (4) | 0.58598 (9) | 0.0248 (4) | |
O4 | 0.1657 (3) | −0.2175 (4) | 0.51627 (8) | 0.0231 (4) | |
C2 | 1.1431 (4) | 0.9546 (5) | 0.84631 (12) | 0.0219 (5) | |
H2 | 1.1414 | 1.0883 | 0.8110 | 0.026* | |
C3 | 1.3226 (4) | 0.9341 (6) | 0.89534 (12) | 0.0248 (5) | |
H3 | 1.4432 | 1.0546 | 0.8935 | 0.030* | |
C4 | 1.3255 (4) | 0.7399 (6) | 0.94631 (12) | 0.0257 (6) | |
H4 | 1.4489 | 0.7249 | 0.9792 | 0.031* | |
C5 | 1.1480 (4) | 0.5660 (6) | 0.94961 (12) | 0.0261 (5) | |
H5 | 1.1498 | 0.4330 | 0.9851 | 0.031* | |
C6 | 0.9670 (4) | 0.5853 (6) | 0.90111 (11) | 0.0214 (5) | |
H6 | 0.8451 | 0.4669 | 0.9037 | 0.026* | |
C7 | 0.6852 (4) | 0.5994 (5) | 0.76518 (11) | 0.0169 (4) | |
C8 | 0.4214 (4) | 0.4908 (5) | 0.67556 (11) | 0.0177 (5) | |
C9 | 0.5166 (3) | 0.3802 (5) | 0.61711 (11) | 0.0190 (5) | |
H9 | 0.6578 | 0.4381 | 0.6027 | 0.023* | |
C10 | 0.4012 (4) | 0.1825 (5) | 0.58006 (11) | 0.0187 (5) | |
H10 | 0.4625 | 0.1017 | 0.5400 | 0.022* | |
C11 | 0.1954 (3) | 0.1055 (5) | 0.60271 (11) | 0.0161 (4) | |
C12 | 0.0975 (4) | 0.2213 (5) | 0.65993 (11) | 0.0189 (5) | |
H12 | −0.0457 | 0.1672 | 0.6735 | 0.023* | |
C13 | 0.2135 (4) | 0.4187 (5) | 0.69708 (11) | 0.0198 (5) | |
H13 | 0.1508 | 0.5024 | 0.7365 | 0.024* |