x | y | z | Uiso*/Ueq | ||
N1 | −0.5544 (2) | 0.61937 (15) | −0.15400 (7) | 0.0377 (5) | |
N2 | −0.2647 (2) | 0.69242 (15) | −0.04651 (7) | 0.0342 (5) | |
N3 | 0.0206 (2) | 0.83861 (14) | 0.04282 (7) | 0.0328 (5) | |
C1 | −0.4636 (3) | 0.60967 (19) | −0.11083 (9) | 0.0353 (6) | |
C2 | −0.3645 (3) | 0.70650 (19) | −0.09065 (9) | 0.0315 (6) | |
C3 | −0.3771 (3) | 0.80441 (18) | −0.11695 (9) | 0.0379 (7) | |
H3B | −0.4480 | 0.8113 | −0.1477 | 0.045* | |
C4 | −0.2830 (3) | 0.89137 (19) | −0.09692 (9) | 0.0401 (7) | |
H4A | −0.2893 | 0.9580 | −0.1139 | 0.048* | |
C5 | −0.1790 (3) | 0.87807 (18) | −0.05110 (9) | 0.0346 (6) | |
H5A | −0.1140 | 0.9355 | −0.0367 | 0.041* | |
C6 | −0.1734 (3) | 0.77816 (18) | −0.02709 (9) | 0.0321 (6) | |
C7 | −0.0646 (3) | 0.75836 (19) | 0.02294 (9) | 0.0328 (6) | |
C8 | −0.4473 (3) | 0.50849 (18) | −0.07891 (9) | 0.0551 (8) | |
H8A | −0.5166 | 0.4524 | −0.0959 | 0.083* | |
H8B | −0.4837 | 0.5227 | −0.0455 | 0.083* | |
H8C | −0.3311 | 0.4854 | −0.0748 | 0.083* | |
C9 | −0.0684 (3) | 0.64705 (18) | 0.04624 (9) | 0.0516 (8) | |
H9A | 0.0057 | 0.6450 | 0.0780 | 0.077* | |
H9B | −0.0314 | 0.5947 | 0.0225 | 0.077* | |
H9C | −0.1818 | 0.6302 | 0.0531 | 0.077* | |
C10 | −0.6522 (3) | 0.52973 (18) | −0.17576 (9) | 0.0350 (6) | |
C11 | −0.5797 (3) | 0.46024 (19) | −0.20928 (9) | 0.0354 (6) | |
C12 | −0.6793 (3) | 0.3774 (2) | −0.23284 (9) | 0.0460 (7) | |
H12A | −0.6339 | 0.3312 | −0.2560 | 0.055* | |
C13 | −0.8439 (4) | 0.3630 (2) | −0.22238 (10) | 0.0529 (8) | |
H13A | −0.9089 | 0.3071 | −0.2382 | 0.063* | |
C14 | −0.9118 (3) | 0.4313 (2) | −0.18850 (10) | 0.0531 (8) | |
H14A | −1.0227 | 0.4202 | −0.1813 | 0.064* | |
C15 | −0.8197 (3) | 0.5162 (2) | −0.16479 (10) | 0.0442 (7) | |
C16 | −0.3966 (3) | 0.4759 (2) | −0.21860 (9) | 0.0542 (8) | |
H16A | −0.3738 | 0.5533 | −0.2186 | 0.065* | |
H16B | −0.3261 | 0.4447 | −0.1895 | 0.065* | |
C17 | −0.3415 (3) | 0.4290 (2) | −0.26723 (10) | 0.0677 (9) | |
H17A | −0.2233 | 0.4437 | −0.2685 | 0.102* | |
H17B | −0.4061 | 0.4613 | −0.2967 | 0.102* | |
H17C | −0.3599 | 0.3520 | −0.2677 | 0.102* | |
C18 | −0.8989 (3) | 0.5920 (2) | −0.12862 (10) | 0.0595 (8) | |
H18A | −0.9946 | 0.5565 | −0.1155 | 0.071* | |
H18B | −0.8167 | 0.6094 | −0.0994 | 0.071* | |
C19 | −0.9567 (4) | 0.6936 (2) | −0.15592 (11) | 0.0843 (11) | |
H19A | −1.0065 | 0.7408 | −0.1324 | 0.126* | |
H19B | −1.0392 | 0.6764 | −0.1845 | 0.126* | |
H19C | −0.8616 | 0.7292 | −0.1685 | 0.126* | |
C20 | 0.1215 (3) | 0.82874 (17) | 0.09135 (9) | 0.0314 (6) | |
C21 | 0.2917 (3) | 0.79922 (18) | 0.09253 (10) | 0.0366 (6) | |
C22 | 0.3912 (3) | 0.80093 (19) | 0.14006 (11) | 0.0481 (7) | |
H22A | 0.5045 | 0.7806 | 0.1417 | 0.058* | |
C23 | 0.3256 (4) | 0.8321 (2) | 0.18473 (11) | 0.0512 (8) | |
H23A | 0.3947 | 0.8347 | 0.2160 | 0.061* | |
C24 | 0.1569 (4) | 0.85952 (19) | 0.18268 (10) | 0.0466 (7) | |
H24A | 0.1129 | 0.8799 | 0.2130 | 0.056* | |
C25 | 0.0504 (3) | 0.85759 (18) | 0.13639 (9) | 0.0367 (6) | |
C26 | 0.3694 (3) | 0.76989 (19) | 0.04370 (9) | 0.0458 (7) | |
H26A | 0.2924 | 0.7225 | 0.0227 | 0.055* | |
H26B | 0.4738 | 0.7302 | 0.0530 | 0.055* | |
C27 | 0.4070 (3) | 0.86848 (19) | 0.01206 (10) | 0.0595 (8) | |
H27A | 0.4547 | 0.8456 | −0.0185 | 0.089* | |
H27B | 0.4862 | 0.9146 | 0.0323 | 0.089* | |
H27C | 0.3040 | 0.9077 | 0.0024 | 0.089* | |
C28 | −0.1336 (3) | 0.8865 (2) | 0.13489 (9) | 0.0482 (7) | |
H28A | −0.1670 | 0.8812 | 0.1696 | 0.058* | |
H28B | −0.1999 | 0.8342 | 0.1134 | 0.058* | |
C29 | −0.1747 (4) | 0.9995 (2) | 0.11419 (10) | 0.0685 (9) | |
H29A | −0.2938 | 1.0131 | 0.1142 | 0.103* | |
H29B | −0.1447 | 1.0051 | 0.0795 | 0.103* | |
H29C | −0.1117 | 1.0520 | 0.1357 | 0.103* |