x | y | z | Uiso*/Ueq | ||
O1 | 0.6301 (5) | 0.4494 (2) | 0.15286 (8) | 0.0271 (6) | |
O2 | 0.7666 (5) | 0.3298 (2) | 0.10086 (7) | 0.0237 (6) | |
O3 | 1.1545 (5) | 0.4557 (2) | 0.20322 (8) | 0.0254 (6) | |
H3 | 1.2064 | 0.5245 | 0.2089 | 0.038* | |
O4 | 0.8720 (5) | 0.5069 (2) | 0.24884 (8) | 0.0267 (6) | |
O5 | 0.6813 (5) | 0.1857 (2) | 0.28643 (7) | 0.0230 (6) | |
O6 | 0.3240 (5) | 0.2717 (2) | 0.27449 (7) | 0.0207 (6) | |
N1 | 0.6108 (6) | 0.3053 (3) | 0.22971 (9) | 0.0221 (7) | |
H1 | 0.5004 | 0.3395 | 0.2147 | 0.027* | |
C1 | 0.8504 (7) | 0.3115 (3) | 0.21511 (11) | 0.0203 (8) | |
H1A | 0.9431 | 0.2511 | 0.2313 | 0.024* | |
C2 | 0.8711 (7) | 0.2786 (3) | 0.16889 (11) | 0.0221 (8) | |
H2A | 1.0385 | 0.2787 | 0.1610 | 0.027* | |
H2B | 0.8106 | 0.1961 | 0.1648 | 0.027* | |
C3 | 0.7406 (7) | 0.3629 (3) | 0.14049 (11) | 0.0205 (8) | |
C4 | 0.9549 (7) | 0.4366 (3) | 0.22432 (11) | 0.0215 (8) | |
C5 | 0.6574 (8) | 0.4001 (3) | 0.06656 (11) | 0.0254 (9) | |
C6 | 0.7397 (9) | 0.3306 (4) | 0.02814 (12) | 0.0363 (11) | |
H6A | 0.6839 | 0.2474 | 0.0298 | 0.054* | |
H6B | 0.9110 | 0.3312 | 0.0270 | 0.054* | |
H6C | 0.6768 | 0.3687 | 0.0030 | 0.054* | |
C7 | 0.7598 (8) | 0.5265 (3) | 0.06653 (13) | 0.0309 (9) | |
H7A | 0.9308 | 0.5216 | 0.0676 | 0.046* | |
H7B | 0.7024 | 0.5706 | 0.0909 | 0.046* | |
H7C | 0.7120 | 0.5685 | 0.0411 | 0.046* | |
C8 | 0.3951 (8) | 0.3978 (4) | 0.07039 (14) | 0.0333 (10) | |
H8A | 0.3481 | 0.4396 | 0.0959 | 0.050* | |
H8B | 0.3410 | 0.3142 | 0.0715 | 0.050* | |
H8C | 0.3253 | 0.4381 | 0.0462 | 0.050* | |
C9 | 0.5502 (7) | 0.2491 (3) | 0.26529 (11) | 0.0180 (7) | |
C10 | 0.2379 (7) | 0.2366 (3) | 0.31542 (10) | 0.0206 (8) | |
H10A | 0.3663 | 0.2015 | 0.3322 | 0.025* | |
H10B | 0.1125 | 0.1758 | 0.3126 | 0.025* | |
C11 | 0.1424 (7) | 0.3503 (3) | 0.33673 (11) | 0.0199 (8) | |
H11 | 0.0232 | 0.3901 | 0.3185 | 0.024* | |
C12 | 0.0379 (7) | 0.3219 (3) | 0.37912 (11) | 0.0231 (8) | |
C13 | −0.1547 (8) | 0.2505 (3) | 0.38905 (11) | 0.0243 (8) | |
H13 | −0.2397 | 0.2099 | 0.3679 | 0.029* | |
C14 | −0.2195 (7) | 0.2401 (3) | 0.43060 (12) | 0.0263 (9) | |
H14 | −0.3507 | 0.1918 | 0.4378 | 0.032* | |
C15 | −0.0960 (8) | 0.2990 (3) | 0.46202 (12) | 0.0284 (9) | |
H15 | −0.1433 | 0.2903 | 0.4902 | 0.034* | |
C16 | 0.0969 (7) | 0.3707 (3) | 0.45224 (12) | 0.0261 (9) | |
H16 | 0.1830 | 0.4103 | 0.4735 | 0.031* | |
C17 | 0.1598 (8) | 0.3825 (3) | 0.41070 (11) | 0.0227 (8) | |
C18 | 0.3500 (7) | 0.4533 (3) | 0.39111 (11) | 0.0220 (8) | |
C19 | 0.5228 (8) | 0.5253 (3) | 0.40880 (12) | 0.0286 (9) | |
H19 | 0.5306 | 0.5365 | 0.4381 | 0.034* | |
C20 | 0.6843 (8) | 0.5807 (3) | 0.38242 (13) | 0.0302 (10) | |
H20 | 0.8067 | 0.6279 | 0.3940 | 0.036* | |
C21 | 0.6685 (8) | 0.5678 (3) | 0.33946 (13) | 0.0289 (9) | |
H21 | 0.7788 | 0.6072 | 0.3220 | 0.035* | |
C22 | 0.4919 (8) | 0.4973 (3) | 0.32146 (12) | 0.0250 (8) | |
H22 | 0.4792 | 0.4901 | 0.2920 | 0.030* | |
C23 | 0.3357 (7) | 0.4382 (3) | 0.34766 (11) | 0.0230 (8) |