x | y | z | Uiso*/Ueq | ||
C2 | 0.32699 (15) | 0.27923 (12) | 0.80027 (10) | 0.0186 (3) | |
C3 | 0.26044 (15) | 0.37581 (12) | 0.76650 (10) | 0.0195 (3) | |
C3A | 0.33279 (15) | 0.39156 (12) | 0.68341 (11) | 0.0194 (3) | |
C4 | 0.30763 (17) | 0.44534 (13) | 0.60975 (11) | 0.0229 (4) | |
C5 | 0.39516 (18) | 0.44605 (14) | 0.54394 (11) | 0.0253 (4) | |
C6 | 0.50732 (17) | 0.39574 (14) | 0.55266 (12) | 0.0246 (4) | |
C7 | 0.53572 (16) | 0.34468 (13) | 0.62767 (11) | 0.0220 (4) | |
C7A | 0.44724 (15) | 0.34255 (12) | 0.69104 (10) | 0.0182 (3) | |
C8 | 0.29907 (16) | 0.46075 (12) | 0.82645 (11) | 0.0211 (4) | |
C9 | 0.34100 (16) | 0.44460 (12) | 0.90560 (11) | 0.0210 (3) | |
C10 | 0.33551 (16) | 0.34357 (13) | 0.94788 (11) | 0.0214 (3) | |
C12 | 0.28689 (15) | 0.16359 (13) | 0.91257 (11) | 0.0190 (3) | |
C13 | 0.26417 (14) | 0.11484 (12) | 0.82818 (10) | 0.0187 (3) | |
C15 | 0.27783 (15) | 0.12521 (13) | 0.99230 (11) | 0.0200 (3) | |
C16 | 0.24075 (15) | 0.02576 (13) | 1.01914 (10) | 0.0204 (3) | |
C18 | 0.18204 (17) | −0.13354 (13) | 1.01993 (11) | 0.0233 (4) | |
C20 | 0.24315 (17) | −0.01288 (13) | 1.10109 (11) | 0.0231 (3) | |
C21 | 0.11422 (16) | 0.36829 (14) | 0.75912 (12) | 0.0245 (4) | |
C22 | 0.07620 (17) | 0.30327 (15) | 0.68323 (13) | 0.0292 (4) | |
C23 | −0.0179 (2) | 0.23927 (19) | 0.68053 (16) | 0.0467 (6) | |
H23A | −0.0694 | 0.2306 | 0.7293 | 0.056* | |
H23B | −0.0341 | 0.2020 | 0.6299 | 0.056* | |
C24 | 0.06073 (19) | 0.47547 (16) | 0.74467 (14) | 0.0319 (4) | |
C25 | 0.05692 (16) | 0.32850 (15) | 0.84208 (12) | 0.0281 (4) | |
H25A | −0.0330 | 0.3387 | 0.8407 | 0.042* | |
H25B | 0.0921 | 0.3650 | 0.8908 | 0.042* | |
H25C | 0.0750 | 0.2563 | 0.8478 | 0.042* | |
C26 | 0.38241 (19) | 0.61629 (14) | 0.92987 (12) | 0.0261 (4) | |
C27 | 0.62470 (18) | 0.21991 (16) | 0.83731 (13) | 0.0304 (4) | |
N1 | 0.45699 (13) | 0.29884 (10) | 0.77360 (9) | 0.0185 (3) | |
N11 | 0.32034 (13) | 0.26396 (10) | 0.89240 (9) | 0.0194 (3) | |
N14 | 0.28079 (13) | 0.18525 (10) | 0.76808 (9) | 0.0192 (3) | |
N17 | 0.19945 (13) | −0.05261 (11) | 0.96885 (9) | 0.0211 (3) | |
N19 | 0.20655 (14) | −0.11236 (11) | 1.10046 (9) | 0.0243 (3) | |
O1 | 0.52932 (11) | 0.20898 (8) | 0.77451 (8) | 0.0220 (3) | |
O9 | 0.38366 (12) | 0.51505 (9) | 0.96104 (8) | 0.0242 (3) | |
O10 | 0.33924 (13) | 0.33375 (10) | 1.02538 (8) | 0.0297 (3) | |
O13 | 0.23426 (11) | 0.02613 (9) | 0.81455 (7) | 0.0227 (3) | |
H4 | 0.230 (2) | 0.4816 (18) | 0.6029 (14) | 0.036 (6)* | |
H5 | 0.3779 (19) | 0.4836 (16) | 0.4900 (13) | 0.023 (5)* | |
H6 | 0.5638 (17) | 0.3927 (14) | 0.5057 (12) | 0.015 (4)* | |
H7 | 0.613 (2) | 0.3112 (16) | 0.6374 (13) | 0.026 (5)* | |
H8 | 0.2979 (17) | 0.5235 (15) | 0.8010 (12) | 0.015 (4)* | |
H14 | 0.284 (2) | 0.1668 (17) | 0.7172 (15) | 0.027 (5)* | |
H15 | 0.3009 (18) | 0.1647 (16) | 1.0401 (13) | 0.021 (5)* | |
H17 | 0.198 (2) | −0.0459 (17) | 0.9125 (15) | 0.029 (5)* | |
H18 | 0.1494 (17) | −0.1977 (14) | 0.9977 (12) | 0.016 (4)* | |
H20 | 0.269 (2) | 0.0184 (16) | 1.1564 (14) | 0.028 (5)* | |
H22 | 0.118 (3) | 0.318 (2) | 0.6324 (17) | 0.050 (7)* | |
H24A | 0.095 (2) | 0.5062 (18) | 0.6938 (15) | 0.037 (6)* | |
H24B | 0.080 (2) | 0.522 (2) | 0.7904 (16) | 0.042 (7)* | |
H24C | −0.028 (3) | 0.4672 (19) | 0.7331 (16) | 0.045 (7)* | |
H26A | 0.4374 (17) | 0.6236 (14) | 0.8794 (12) | 0.015 (4)* | |
H26B | 0.412 (2) | 0.6584 (18) | 0.9782 (16) | 0.040 (6)* | |
H26C | 0.294 (2) | 0.6392 (17) | 0.9142 (14) | 0.029 (5)* | |
H27A | 0.676 (2) | 0.2766 (19) | 0.8265 (15) | 0.035 (6)* | |
H27B | 0.668 (2) | 0.1612 (18) | 0.8349 (15) | 0.033 (6)* | |
H27C | 0.590 (2) | 0.2315 (17) | 0.8929 (14) | 0.028 (5)* |