x | y | z | Uiso*/Ueq | ||
O1 | 0.23459 (15) | −0.18900 (7) | 0.41351 (13) | 0.0243 (4) | |
O2 | 0.03177 (16) | −0.19106 (7) | 0.25030 (14) | 0.0306 (4) | |
H2 | 0.059 (2) | −0.2395 (6) | 0.241 (2) | 0.046* | |
O3 | 0.45044 (15) | −0.07193 (7) | 0.43306 (13) | 0.0222 (4) | |
O4 | 0.38326 (15) | −0.05971 (7) | 0.60719 (13) | 0.0228 (3) | |
H4 | 0.4840 (12) | −0.0655 (11) | 0.6516 (18) | 0.034* | |
O5 | 0.07842 (15) | 0.17226 (7) | 0.47794 (13) | 0.0233 (4) | |
O6 | −0.07866 (16) | 0.17604 (7) | 0.28878 (13) | 0.0261 (4) | |
O7 | −0.27358 (15) | 0.09642 (7) | 0.17213 (13) | 0.0201 (3) | |
H7 | −0.1913 (17) | 0.1273 (9) | 0.2101 (18) | 0.030* | |
O8 | −0.32512 (15) | −0.01671 (7) | 0.19026 (13) | 0.0226 (3) | |
O9 | 0.22586 (15) | 0.16081 (7) | 0.01694 (14) | 0.0246 (4) | |
O10 | −0.00003 (15) | 0.19454 (7) | 0.02169 (13) | 0.0226 (4) | |
H10 | 0.038 (2) | 0.2382 (7) | 0.004 (2) | 0.034* | |
O11 | −0.34327 (15) | −0.06460 (7) | −0.22544 (13) | 0.0223 (3) | |
O12 | −0.39830 (15) | 0.00769 (8) | −0.08721 (14) | 0.0270 (4) | |
H12 | −0.5011 (12) | 0.0024 (12) | −0.1315 (18) | 0.041* | |
C1 | 0.0979 (2) | −0.08162 (9) | 0.34901 (17) | 0.0127 (4) | |
C2 | 0.2037 (2) | −0.03525 (10) | 0.42177 (17) | 0.0129 (4) | |
C3 | 0.1658 (2) | 0.03604 (10) | 0.43179 (17) | 0.0136 (4) | |
H3 | 0.2361 | 0.0669 | 0.4851 | 0.016* | |
C4 | 0.0279 (2) | 0.06330 (9) | 0.36590 (17) | 0.0134 (4) | |
C5 | −0.0786 (2) | 0.01648 (10) | 0.29062 (17) | 0.0137 (4) | |
C6 | −0.0402 (2) | −0.05506 (10) | 0.28629 (17) | 0.0137 (4) | |
H6 | −0.1123 | −0.0870 | 0.2379 | 0.016* | |
C7 | 0.1305 (2) | −0.15936 (10) | 0.34274 (18) | 0.0158 (5) | |
C8 | 0.3601 (2) | −0.05876 (10) | 0.48645 (19) | 0.0160 (5) | |
C9 | 0.0077 (2) | 0.14282 (10) | 0.38080 (19) | 0.0161 (4) | |
C10 | −0.2354 (2) | 0.03281 (10) | 0.21461 (18) | 0.0157 (4) | |
C11 | 0.1018 (2) | 0.14644 (10) | 0.01977 (17) | 0.0142 (4) | |
C12 | 0.0487 (2) | 0.07093 (10) | 0.01737 (17) | 0.0123 (4) | |
C13 | −0.0993 (2) | 0.05489 (10) | −0.04131 (17) | 0.0132 (4) | |
H13 | −0.1680 | 0.0928 | −0.0691 | 0.016* | |
C14 | −0.1490 (2) | −0.01526 (10) | −0.06025 (17) | 0.0123 (4) | |
C15 | −0.3083 (2) | −0.02798 (10) | −0.13252 (18) | 0.0141 (4) | |
N1 | 0.46132 (18) | 0.23095 (8) | 0.82066 (15) | 0.0209 (4) | |
C16 | 0.5398 (3) | 0.17774 (12) | 0.9150 (2) | 0.0412 (7) | |
H16A | 0.6108 | 0.2024 | 0.9837 | 0.062* | |
H16B | 0.5929 | 0.1438 | 0.8775 | 0.062* | |
H16C | 0.4675 | 0.1520 | 0.9459 | 0.062* | |
C17 | 0.5693 (3) | 0.27012 (13) | 0.7714 (2) | 0.0380 (6) | |
H17A | 0.5170 | 0.3070 | 0.7135 | 0.057* | |
H17B | 0.6169 | 0.2366 | 0.7284 | 0.057* | |
H17C | 0.6449 | 0.2925 | 0.8398 | 0.057* | |
C18 | 0.3829 (3) | 0.28289 (12) | 0.8791 (2) | 0.0363 (6) | |
H18A | 0.3321 | 0.3185 | 0.8178 | 0.054* | |
H18B | 0.4551 | 0.3068 | 0.9480 | 0.054* | |
H18C | 0.3101 | 0.2576 | 0.9100 | 0.054* | |
C19 | 0.3527 (3) | 0.19388 (13) | 0.7173 (2) | 0.0407 (7) | |
H19A | 0.2768 | 0.1710 | 0.7480 | 0.061* | |
H19B | 0.4039 | 0.1576 | 0.6827 | 0.061* | |
H19C | 0.3054 | 0.2286 | 0.6531 | 0.061* |