x | y | z | Uiso*/Ueq | ||
N1 | 0.50349 (18) | 0.28625 (13) | 0.24313 (7) | 0.0151 (2) | |
H1 | 0.4877 | 0.2768 | 0.1882 | 0.018* | |
N2 | 0.82364 (19) | 0.41676 (14) | 0.19955 (7) | 0.0176 (2) | |
H2A | 0.8060 | 0.4015 | 0.1454 | 0.021* | |
H2B | 0.9352 | 0.4662 | 0.2121 | 0.021* | |
C1 | 0.6777 (2) | 0.36374 (15) | 0.26413 (8) | 0.0146 (2) | |
C2 | 0.3509 (2) | 0.22205 (16) | 0.30452 (8) | 0.0162 (2) | |
H2 | 0.2353 | 0.1692 | 0.2859 | 0.019* | |
C3 | 0.3654 (2) | 0.23421 (16) | 0.39271 (8) | 0.0177 (2) | |
C4 | 0.5424 (2) | 0.31915 (17) | 0.41660 (8) | 0.0196 (2) | |
H4 | 0.5553 | 0.3318 | 0.4761 | 0.023* | |
C5 | 0.6949 (2) | 0.38321 (16) | 0.35500 (8) | 0.0180 (2) | |
H5 | 0.8088 | 0.4391 | 0.3726 | 0.022* | |
C6 | 0.2014 (2) | 0.1628 (2) | 0.46135 (9) | 0.0252 (3) | |
H6A | 0.0930 | 0.1115 | 0.4329 | 0.038* | |
H6B | 0.1192 | 0.2508 | 0.4971 | 0.038* | |
H6C | 0.2873 | 0.0806 | 0.4980 | 0.038* | |
O1 | 0.17251 (16) | 0.61810 (13) | 0.14298 (6) | 0.01924 (19) | |
H1A | 0.1638 | 0.6119 | 0.0899 | 0.029* | |
O2 | 0.10528 (18) | 0.60967 (13) | 0.31694 (7) | 0.0243 (2) | |
O3 | 0.28454 (18) | 0.76459 (15) | 0.38862 (6) | 0.0270 (2) | |
O4 | 0.93341 (17) | 0.99542 (13) | 0.26211 (7) | 0.0237 (2) | |
O5 | 1.00019 (18) | 1.02494 (14) | 0.11971 (8) | 0.0274 (2) | |
O6 | 0.55546 (18) | 0.76372 (13) | −0.07527 (6) | 0.0222 (2) | |
O7 | 0.26539 (17) | 0.63243 (12) | −0.01529 (6) | 0.01923 (19) | |
N3 | 0.25086 (18) | 0.70325 (14) | 0.31952 (7) | 0.0166 (2) | |
N4 | 0.89119 (18) | 0.97295 (13) | 0.18590 (8) | 0.0181 (2) | |
C7 | 0.3389 (2) | 0.70035 (15) | 0.15497 (8) | 0.0136 (2) | |
C8 | 0.3891 (2) | 0.74498 (15) | 0.23904 (8) | 0.0141 (2) | |
C9 | 0.5696 (2) | 0.83248 (15) | 0.24908 (8) | 0.0152 (2) | |
H9 | 0.6004 | 0.8588 | 0.3049 | 0.018* | |
C10 | 0.7029 (2) | 0.87992 (15) | 0.17497 (8) | 0.0148 (2) | |
C11 | 0.6613 (2) | 0.84379 (15) | 0.09005 (8) | 0.0154 (2) | |
H11 | 0.7517 | 0.8788 | 0.0409 | 0.018* | |
C12 | 0.4831 (2) | 0.75506 (14) | 0.08054 (7) | 0.0136 (2) | |
C13 | 0.4365 (2) | 0.71642 (15) | −0.01015 (8) | 0.0160 (2) |