x | y | z | Uiso*/Ueq | ||
O1 | 0.93834 (12) | 0.04009 (14) | 0.16871 (11) | 0.0695 (4) | |
O2 | 0.79489 (14) | −0.11746 (14) | 0.04458 (12) | 0.0752 (4) | |
O3 | 0.54600 (12) | 0.40633 (13) | −0.19372 (11) | 0.0699 (4) | |
C1 | 0.83141 (17) | 0.0134 (2) | 0.07489 (15) | 0.0612 (4) | |
C2 | 0.77893 (16) | 0.16711 (17) | 0.02593 (13) | 0.0552 (4) | |
C3 | 0.67205 (15) | 0.19885 (18) | −0.07089 (14) | 0.0569 (4) | |
H3 | 0.6212 | 0.1185 | −0.114 | 0.068* | |
C4 | 0.64497 (16) | 0.35569 (18) | −0.09995 (14) | 0.0568 (4) | |
C5 | 0.72174 (17) | 0.47477 (18) | −0.03217 (16) | 0.0632 (4) | |
H5 | 0.7013 | 0.5794 | −0.0524 | 0.076* | |
C6 | 0.82660 (17) | 0.44069 (19) | 0.06357 (16) | 0.0639 (4) | |
H6 | 0.8766 | 0.5208 | 0.108 | 0.077* | |
C7 | 0.85594 (16) | 0.28364 (18) | 0.09213 (14) | 0.0572 (4) | |
C8 | 0.96195 (18) | 0.2080 (2) | 0.18656 (16) | 0.0663 (5) | |
H8A | 1.0596 | 0.2365 | 0.1624 | 0.08* | |
H8B | 0.9448 | 0.2392 | 0.2804 | 0.08* | |
C9 | 0.45913 (19) | 0.2893 (2) | −0.25875 (18) | 0.0730 (5) | |
H9A | 0.3942 | 0.3389 | −0.3222 | 0.11* | |
H9B | 0.4051 | 0.2336 | −0.191 | 0.11* | |
H9C | 0.5197 | 0.2169 | −0.3067 | 0.11* |