x | y | z | Uiso*/Ueq | ||
N3 | 0.20041 (7) | 0.03150 (8) | −0.0041 (4) | 0.0233 (4) | |
C7 | 0.28868 (9) | 0.15497 (9) | 0.5132 (4) | 0.0252 (4) | |
H7 | 0.3324 | 0.1604 | 0.5071 | 0.030* | |
C1 | 0.39265 (9) | −0.01777 (9) | −0.5063 (4) | 0.0270 (4) | |
H1 | 0.4315 | −0.0032 | −0.5689 | 0.032* | |
N2 | 0.29394 (8) | 0.07934 (7) | 0.1587 (3) | 0.0217 (3) | |
C13 | 0.10022 (9) | 0.05895 (9) | 0.1820 (4) | 0.0267 (4) | |
H13 | 0.0797 | 0.0324 | 0.0611 | 0.032* | |
C10 | 0.15895 (9) | 0.14042 (9) | 0.5376 (4) | 0.0255 (4) | |
C15 | 0.19455 (9) | 0.10642 (8) | 0.3491 (4) | 0.0219 (4) | |
C5 | 0.31573 (9) | −0.08947 (9) | −0.5129 (4) | 0.0273 (4) | |
H5 | 0.2989 | −0.1270 | −0.5796 | 0.033* | |
C6 | 0.26012 (9) | 0.11421 (8) | 0.3414 (4) | 0.0218 (4) | |
C14 | 0.16387 (9) | 0.06513 (9) | 0.1728 (4) | 0.0231 (4) | |
C11 | 0.09363 (10) | 0.13134 (9) | 0.5452 (4) | 0.0288 (5) | |
H11 | 0.0693 | 0.1527 | 0.6721 | 0.035* | |
B1 | 0.26579 (10) | 0.03753 (10) | −0.0181 (4) | 0.0220 (4) | |
C3 | 0.30411 (9) | −0.00146 (9) | −0.2242 (4) | 0.0220 (4) | |
C4 | 0.28147 (9) | −0.05701 (9) | −0.3271 (4) | 0.0262 (4) | |
H4 | 0.2426 | −0.0727 | −0.2700 | 0.031* | |
C12 | 0.06564 (9) | 0.09191 (9) | 0.3700 (4) | 0.0286 (5) | |
H12 | 0.0219 | 0.0868 | 0.3758 | 0.034* | |
N1 | 0.37087 (8) | −0.07118 (8) | −0.6036 (3) | 0.0268 (4) | |
C2 | 0.36184 (9) | 0.01756 (9) | −0.3191 (4) | 0.0246 (4) | |
H2A | 0.3801 | 0.0547 | −0.2555 | 0.030* | |
C9 | 0.19006 (10) | 0.18127 (9) | 0.7109 (4) | 0.0277 (5) | |
H9 | 0.1670 | 0.2039 | 0.8380 | 0.033* | |
C8 | 0.25310 (10) | 0.18841 (9) | 0.6969 (4) | 0.0279 (4) | |
H8 | 0.2732 | 0.2164 | 0.8132 | 0.033* | |
H3 | 0.1804 (12) | 0.0058 (12) | −0.125 (6) | 0.042 (7)* | |
H2 | 0.3364 (11) | 0.0870 (10) | 0.167 (5) | 0.028 (6)* |