x | y | z | Uiso*/Ueq | ||
O1 | 0.65593 (7) | 0.65589 (10) | 0.67564 (5) | 0.0159 (2) | |
H1o | 0.6569 (15) | 0.594 (2) | 0.6365 (9) | 0.048 (6)* | |
O2 | 0.73862 (7) | 1.02234 (10) | 0.49100 (5) | 0.0170 (2) | |
O3 | 0.73479 (7) | 0.82683 (11) | 0.37346 (5) | 0.0170 (2) | |
H3o | 0.7407 (13) | 0.8846 (19) | 0.4154 (8) | 0.036 (5)* | |
O4 | 0.63116 (6) | 0.46796 (10) | 0.55110 (5) | 0.0163 (2) | |
O5 | 0.99653 (7) | 0.53999 (12) | 0.35663 (6) | 0.0237 (2) | |
O6 | 1.13360 (7) | 0.63202 (12) | 0.40630 (6) | 0.0259 (2) | |
N1 | 1.04746 (8) | 0.61823 (13) | 0.40582 (7) | 0.0176 (2) | |
C1 | 0.71426 (9) | 0.83167 (14) | 0.58531 (7) | 0.0129 (2) | |
C2 | 0.67059 (9) | 0.79995 (14) | 0.65085 (7) | 0.0134 (2) | |
C3 | 0.63844 (9) | 0.92120 (14) | 0.70461 (7) | 0.0153 (3) | |
H3A | 0.6898 | 0.9405 | 0.7493 | 0.018* | |
H3B | 0.5829 | 0.8817 | 0.7279 | 0.018* | |
C4 | 0.61160 (9) | 1.07463 (14) | 0.66175 (7) | 0.0149 (3) | |
C5 | 0.69030 (10) | 1.11682 (15) | 0.61177 (8) | 0.0184 (3) | |
H5A | 0.6701 | 1.2088 | 0.5788 | 0.022* | |
H5B | 0.7480 | 1.1453 | 0.6486 | 0.022* | |
C6 | 0.71497 (9) | 0.98965 (15) | 0.55741 (8) | 0.0145 (3) | |
C7 | 0.51615 (10) | 1.05773 (17) | 0.60799 (8) | 0.0217 (3) | |
H7A | 0.4669 | 1.0306 | 0.6409 | 0.032* | |
H7B | 0.5209 | 0.9761 | 0.5684 | 0.032* | |
H7C | 0.4997 | 1.1557 | 0.5803 | 0.032* | |
C8 | 0.60339 (10) | 1.20199 (15) | 0.72332 (8) | 0.0187 (3) | |
H8A | 0.5531 | 1.1754 | 0.7554 | 0.028* | |
H8B | 0.5880 | 1.3002 | 0.6955 | 0.028* | |
H8C | 0.6638 | 1.2121 | 0.7585 | 0.028* | |
C9 | 0.76179 (8) | 0.70610 (14) | 0.54208 (7) | 0.0124 (2) | |
H9 | 0.7692 | 0.6185 | 0.5812 | 0.015* | |
C10 | 0.70261 (9) | 0.63781 (14) | 0.46833 (7) | 0.0129 (2) | |
C11 | 0.69851 (9) | 0.69205 (14) | 0.39210 (8) | 0.0139 (3) | |
C12 | 0.65447 (9) | 0.60340 (15) | 0.31987 (8) | 0.0162 (3) | |
H12A | 0.6947 | 0.6153 | 0.2767 | 0.019* | |
H12B | 0.5916 | 0.6487 | 0.3006 | 0.019* | |
C13 | 0.64204 (9) | 0.43071 (15) | 0.33584 (8) | 0.0162 (3) | |
C14 | 0.59406 (10) | 0.41744 (16) | 0.41182 (8) | 0.0189 (3) | |
H14A | 0.5281 | 0.4556 | 0.3999 | 0.023* | |
H14B | 0.5913 | 0.3070 | 0.4268 | 0.023* | |
C15 | 0.64394 (9) | 0.50637 (14) | 0.48217 (7) | 0.0140 (2) | |
C16 | 0.57961 (10) | 0.35702 (17) | 0.26472 (8) | 0.0228 (3) | |
H16A | 0.5718 | 0.2467 | 0.2752 | 0.034* | |
H16B | 0.6097 | 0.3698 | 0.2161 | 0.034* | |
H16C | 0.5174 | 0.4074 | 0.2573 | 0.034* | |
C17 | 0.73790 (10) | 0.34775 (15) | 0.34742 (8) | 0.0201 (3) | |
H17A | 0.7282 | 0.2378 | 0.3577 | 0.030* | |
H17B | 0.7786 | 0.3932 | 0.3931 | 0.030* | |
H17C | 0.7683 | 0.3592 | 0.2989 | 0.030* | |
C18 | 0.86411 (8) | 0.74648 (14) | 0.53038 (7) | 0.0130 (2) | |
C19 | 0.91956 (9) | 0.84390 (15) | 0.58406 (8) | 0.0156 (3) | |
H19 | 0.8912 | 0.8949 | 0.6248 | 0.019* | |
C20 | 1.01514 (9) | 0.86788 (15) | 0.57927 (8) | 0.0175 (3) | |
H20 | 1.0509 | 0.9350 | 0.6165 | 0.021* | |
C21 | 1.05918 (9) | 0.79508 (15) | 0.52075 (8) | 0.0171 (3) | |
H21 | 1.1245 | 0.8105 | 0.5170 | 0.021* | |
C22 | 1.00352 (9) | 0.69910 (15) | 0.46819 (7) | 0.0150 (3) | |
C23 | 0.90774 (9) | 0.67322 (14) | 0.47154 (7) | 0.0144 (3) | |
H23 | 0.8724 | 0.6062 | 0.4340 | 0.017* |