x | y | z | Uiso*/Ueq | ||
N21 | 0.64309 (14) | −0.19503 (16) | 0.46008 (14) | 0.0171 (3) | |
H21 | 0.5815 | −0.1069 | 0.4627 | 0.047 (6)* | |
N24 | 0.36841 (13) | −0.12143 (15) | 0.61217 (14) | 0.0160 (3) | |
C1 | 0.62390 (16) | −0.34160 (19) | 0.52069 (17) | 0.0179 (4) | |
C2 | 0.74472 (17) | −0.4492 (2) | 0.48647 (18) | 0.0190 (4) | |
H2A | 0.7600 | −0.5592 | 0.5123 | 0.023* | |
C3 | 0.83431 (17) | −0.36651 (19) | 0.41037 (17) | 0.0185 (4) | |
H3A | 0.9229 | −0.4090 | 0.3740 | 0.022* | |
C4 | 0.77200 (16) | −0.20511 (19) | 0.39479 (17) | 0.0169 (4) | |
C5 | 0.83034 (16) | −0.07952 (19) | 0.33369 (17) | 0.0169 (4) | |
C16 | 0.24129 (16) | −0.07563 (19) | 0.67302 (16) | 0.0164 (3) | |
C17 | 0.18961 (17) | −0.2107 (2) | 0.74985 (18) | 0.0195 (4) | |
H17A | 0.1041 | −0.2097 | 0.8006 | 0.023* | |
C18 | 0.28721 (17) | −0.3376 (2) | 0.73457 (18) | 0.0198 (4) | |
H18A | 0.2843 | −0.4437 | 0.7732 | 0.024* | |
C19 | 0.39727 (16) | −0.28065 (19) | 0.64781 (17) | 0.0172 (4) | |
C20 | 0.51314 (16) | −0.37959 (19) | 0.60556 (17) | 0.0185 (4) | |
H20A | 0.5167 | −0.4877 | 0.6396 | 0.022* | |
C51 | 0.98127 (17) | −0.11283 (19) | 0.28262 (17) | 0.0177 (4) | |
C52 | 1.01657 (17) | −0.1671 (2) | 0.17315 (18) | 0.0206 (4) | |
H52A | 0.9421 | −0.1859 | 0.1286 | 0.025* | |
C53 | 1.15769 (17) | −0.1945 (2) | 0.12745 (18) | 0.0207 (4) | |
H53A | 1.1792 | −0.2316 | 0.0527 | 0.025* | |
C54 | 1.26742 (16) | −0.16720 (19) | 0.19238 (18) | 0.0188 (4) | |
C55 | 1.23542 (17) | −0.11454 (19) | 0.30202 (17) | 0.0192 (4) | |
H55A | 1.3103 | −0.0965 | 0.3467 | 0.023* | |
C56 | 1.09475 (17) | −0.08822 (19) | 0.34664 (18) | 0.0192 (4) | |
H56A | 1.0744 | −0.0526 | 0.4224 | 0.023* | |
O1 | 1.41004 (11) | −0.18754 (14) | 0.15628 (12) | 0.0226 (3) | |
C57 | 1.45008 (17) | −0.2298 (2) | 0.03660 (18) | 0.0227 (4) | |
H57A | 1.3832 | −0.1524 | −0.0488 | 0.027* | |
H57B | 1.4430 | −0.3366 | 0.0554 | 0.027* | |
C58 | 1.60744 (17) | −0.2284 (2) | 0.01421 (18) | 0.0211 (4) | |
H58A | 1.6702 | −0.2943 | 0.1048 | 0.025* | |
H58B | 1.6106 | −0.1185 | −0.0147 | 0.025* | |
C59 | 1.66924 (17) | −0.2919 (2) | −0.09922 (19) | 0.0249 (4) | |
H59A | 1.6492 | −0.3934 | −0.0788 | 0.030* | |
H59B | 1.6167 | −0.2157 | −0.1927 | 0.030* | |
C510 | 1.83383 (17) | −0.3191 (2) | −0.10777 (18) | 0.0217 (4) | |
H51A | 1.8868 | −0.3995 | −0.0159 | 0.026* | |
H51B | 1.8546 | −0.2190 | −0.1236 | 0.026* | |
C511 | 1.89275 (18) | −0.3744 (2) | −0.22522 (19) | 0.0277 (4) | |
H51C | 2.0009 | −0.4029 | −0.2182 | 0.042* | |
H51D | 1.8518 | −0.2889 | −0.3175 | 0.042* | |
H51E | 1.8637 | −0.4673 | −0.2159 | 0.042* |