x | y | z | Uiso*/Ueq | ||
O1 | 0.3838 (4) | 0.5521 (4) | 0.45124 (15) | 0.0153 (5) | |
H1 | 0.271 (6) | 0.587 (8) | 0.468 (3) | 0.039 (13)* | |
O2 | 0.3808 (3) | 0.8867 (4) | 0.35486 (14) | 0.0156 (5) | |
O3 | 0.9421 (3) | 0.1722 (4) | 0.44956 (14) | 0.0133 (5) | |
O4 | 1.0688 (3) | 0.2205 (4) | 0.30548 (14) | 0.0141 (5) | |
H4 | 1.173 (6) | 0.144 (7) | 0.332 (2) | 0.026 (10)* | |
O5 | 0.7890 (3) | 0.7805 (3) | 0.30380 (14) | 0.0123 (5) | |
O6 | 0.6993 (3) | 0.4106 (4) | 0.23156 (13) | 0.0127 (4) | |
C1 | 0.4679 (4) | 0.7060 (5) | 0.38994 (19) | 0.0108 (6) | |
C2 | 0.6954 (4) | 0.6301 (5) | 0.3722 (2) | 0.0113 (6) | |
H2 | 0.782988 | 0.639980 | 0.433289 | 0.014* | |
C3 | 0.7155 (4) | 0.3667 (5) | 0.33022 (19) | 0.0103 (6) | |
H3 | 0.591522 | 0.263933 | 0.348493 | 0.012* | |
C4 | 0.9202 (4) | 0.2424 (5) | 0.3672 (2) | 0.0105 (6) | |
C5 | 0.7661 (4) | 0.6609 (5) | 0.2121 (2) | 0.0124 (6) | |
C6 | 0.6025 (5) | 0.7952 (6) | 0.1454 (2) | 0.0174 (7) | |
H6A | 0.481549 | 0.683619 | 0.127887 | 0.021* | |
H6B | 0.547171 | 0.945453 | 0.176471 | 0.021* | |
C7 | 0.7213 (5) | 0.8670 (7) | 0.0571 (2) | 0.0276 (8) | |
H7A | 0.704227 | 0.737514 | 0.007304 | 0.033* | |
H7B | 0.669165 | 1.027909 | 0.030732 | 0.033* | |
C8 | 0.9535 (5) | 0.8873 (7) | 0.0939 (2) | 0.0220 (7) | |
H8A | 1.051505 | 0.869535 | 0.041494 | 0.026* | |
H8B | 0.981059 | 1.048463 | 0.126290 | 0.026* | |
C9 | 0.9776 (4) | 0.6711 (6) | 0.1634 (2) | 0.0161 (6) | |
H9A | 1.097196 | 0.700938 | 0.210352 | 0.019* | |
H9B | 1.003536 | 0.513540 | 0.129416 | 0.019* |