x | y | z | Uiso*/Ueq | ||
O1 | 0.65863 (16) | 0.55415 (6) | 0.82793 (16) | 0.0252 (3) | |
O2 | 0.18140 (16) | 0.55228 (6) | 1.16490 (15) | 0.0203 (3) | |
O3 | 0.44673 (16) | 0.68686 (5) | 0.90343 (16) | 0.0217 (3) | |
O4 | 0.37570 (18) | 0.77723 (6) | 0.93929 (18) | 0.0306 (3) | |
O5 | 0.03664 (16) | 0.70944 (5) | 1.19895 (16) | 0.0226 (3) | |
N1 | 0.08101 (19) | 0.65146 (6) | 1.19429 (19) | 0.0212 (3) | |
C1 | 0.0870 (2) | 0.57205 (7) | 0.8333 (2) | 0.0203 (4) | |
H1 | −0.001664 | 0.578626 | 0.890399 | 0.024* | |
C2 | 0.0569 (2) | 0.55858 (8) | 0.6759 (2) | 0.0228 (4) | |
H2A | −0.052182 | 0.555788 | 0.625751 | 0.027* | |
C3 | 0.1853 (2) | 0.54909 (8) | 0.5906 (2) | 0.0240 (4) | |
H3 | 0.164699 | 0.541177 | 0.481704 | 0.029* | |
C4 | 0.3430 (2) | 0.55131 (7) | 0.6659 (2) | 0.0218 (4) | |
H4 | 0.431105 | 0.543796 | 0.608819 | 0.026* | |
C5 | 0.7367 (2) | 0.57793 (8) | 1.1470 (2) | 0.0220 (4) | |
H5 | 0.823547 | 0.568479 | 1.090262 | 0.026* | |
C6 | 0.7694 (2) | 0.59175 (8) | 1.3033 (2) | 0.0247 (4) | |
H6 | 0.878586 | 0.592110 | 1.353877 | 0.030* | |
C7 | 0.6426 (2) | 0.60514 (8) | 1.3866 (2) | 0.0243 (4) | |
H7 | 0.665219 | 0.614443 | 1.494505 | 0.029* | |
C8 | 0.4833 (2) | 0.60507 (8) | 1.3136 (2) | 0.0205 (4) | |
H8 | 0.397213 | 0.614388 | 1.371534 | 0.025* | |
C9 | 0.2716 (2) | 0.59122 (7) | 1.0817 (2) | 0.0165 (3) | |
C10 | 0.5456 (2) | 0.56479 (7) | 0.9026 (2) | 0.0189 (4) | |
C11 | 0.5762 (2) | 0.57770 (7) | 1.0712 (2) | 0.0183 (4) | |
C12 | 0.4490 (2) | 0.59136 (7) | 1.1556 (2) | 0.0172 (4) | |
C13 | 0.2460 (2) | 0.57606 (7) | 0.9088 (2) | 0.0172 (4) | |
C14 | 0.3747 (2) | 0.56448 (7) | 0.8250 (2) | 0.0182 (4) | |
C15 | 0.1976 (2) | 0.64929 (7) | 1.1067 (2) | 0.0170 (4) | |
C16 | 0.2349 (2) | 0.70473 (7) | 1.0516 (2) | 0.0181 (4) | |
C17 | 0.1296 (2) | 0.73971 (8) | 1.1146 (2) | 0.0199 (4) | |
C18 | 0.0996 (2) | 0.80170 (8) | 1.1084 (2) | 0.0253 (4) | |
H18A | 0.008645 | 0.810745 | 1.165995 | 0.038* | |
H18B | 0.072691 | 0.813653 | 0.999147 | 0.038* | |
H18C | 0.197593 | 0.821674 | 1.156078 | 0.038* | |
C19 | 0.3576 (2) | 0.72714 (8) | 0.9602 (2) | 0.0194 (4) | |
C20 | 0.5726 (2) | 0.70681 (9) | 0.8136 (2) | 0.0263 (4) | |
H20A | 0.534468 | 0.741549 | 0.755484 | 0.032* | |
H20B | 0.593554 | 0.677531 | 0.736546 | 0.032* | |
C21 | 0.7273 (3) | 0.71933 (11) | 0.9198 (3) | 0.0365 (5) | |
H21A | 0.812088 | 0.730603 | 0.856913 | 0.055* | |
H21B | 0.762503 | 0.685366 | 0.980518 | 0.055* | |
H21C | 0.708331 | 0.750213 | 0.991184 | 0.055* | |
H2 | 0.232 (3) | 0.5184 (12) | 1.162 (3) | 0.043 (7)* |