x | y | z | Uiso*/Ueq | ||
O1 | 0.96864 (7) | 0.23821 (16) | 0.65434 (3) | 0.01577 (17) | |
O2 | 0.26072 (7) | 0.95788 (18) | 0.47532 (3) | 0.01982 (18) | |
O3 | 0.09239 (7) | 0.7586 (2) | 0.49784 (4) | 0.0246 (2) | |
N1 | 1.02983 (8) | 0.66732 (19) | 0.66764 (4) | 0.01464 (18) | |
H1 | 1.0072 (13) | 0.834 (3) | 0.6656 (6) | 0.018* | |
C1 | 1.35763 (10) | 0.7868 (2) | 0.69502 (4) | 0.0179 (2) | |
H1A | 1.387593 | 0.633931 | 0.677037 | 0.021* | |
H1AB | 1.404140 | 0.946479 | 0.688562 | 0.021* | |
C2 | 1.37316 (10) | 0.7289 (2) | 0.75164 (4) | 0.0177 (2) | |
H2A | 1.456652 | 0.689410 | 0.763536 | 0.021* | |
H2AB | 1.350298 | 0.887869 | 0.770054 | 0.021* | |
C3 | 1.29754 (11) | 0.4914 (2) | 0.76259 (4) | 0.0184 (2) | |
H3A | 1.306633 | 0.458942 | 0.799445 | 0.022* | |
H3AB | 1.324548 | 0.329830 | 0.746168 | 0.022* | |
C4 | 1.16802 (10) | 0.5412 (2) | 0.74321 (4) | 0.0174 (2) | |
H4A | 1.121475 | 0.381401 | 0.749567 | 0.021* | |
H4AB | 1.139004 | 0.693282 | 0.761708 | 0.021* | |
C5 | 1.15165 (9) | 0.6024 (2) | 0.68667 (4) | 0.01204 (19) | |
H5 | 1.174757 | 0.440743 | 0.668389 | 0.014* | |
C6 | 1.22876 (10) | 0.8346 (2) | 0.67461 (4) | 0.0156 (2) | |
H6A | 1.201602 | 1.000303 | 0.689604 | 0.019* | |
H6AB | 1.220984 | 0.859459 | 0.637563 | 0.019* | |
C7 | 0.13448 (10) | 0.9561 (2) | 0.46564 (4) | 0.0178 (2) | |
H00F | 0.103160 | 1.134167 | 0.472821 | 0.021* | |
H00G | 0.108313 | 0.912274 | 0.429779 | 0.021* | |
C8 | 0.29070 (10) | 0.7663 (2) | 0.51139 (4) | 0.0146 (2) | |
C9 | 0.19016 (9) | 0.6451 (2) | 0.52444 (4) | 0.0157 (2) | |
C10 | 0.19552 (10) | 0.4395 (2) | 0.55871 (4) | 0.0172 (2) | |
H10 | 0.126694 | 0.356487 | 0.567425 | 0.021* | |
C11 | 0.30804 (10) | 0.3586 (2) | 0.58014 (4) | 0.0154 (2) | |
H11 | 0.315407 | 0.213891 | 0.603318 | 0.018* | |
C12 | 0.40980 (9) | 0.4841 (2) | 0.56850 (4) | 0.0135 (2) | |
C13 | 0.40115 (9) | 0.6936 (2) | 0.53284 (4) | 0.0142 (2) | |
H13 | 0.469038 | 0.780458 | 0.524074 | 0.017* | |
C14 | 0.52399 (9) | 0.3949 (2) | 0.59388 (4) | 0.0151 (2) | |
H14 | 0.528504 | 0.219194 | 0.607404 | 0.018* | |
C15 | 0.62312 (9) | 0.5413 (2) | 0.59963 (4) | 0.0153 (2) | |
H15 | 0.618873 | 0.720765 | 0.588024 | 0.018* | |
C16 | 0.73553 (9) | 0.4407 (2) | 0.62246 (4) | 0.0144 (2) | |
H16 | 0.741526 | 0.256496 | 0.630909 | 0.017* | |
C17 | 0.83199 (9) | 0.5927 (2) | 0.63240 (4) | 0.0147 (2) | |
H17 | 0.825437 | 0.779183 | 0.626212 | 0.018* | |
C18 | 0.94810 (9) | 0.4819 (2) | 0.65259 (4) | 0.01252 (19) |