x | y | z | Uiso*/Ueq | ||
O1 | 0.71889 (6) | 0.58291 (10) | 0.67517 (6) | 0.02051 (19) | |
H1 | 0.7343 (14) | 0.536 (2) | 0.6242 (9) | 0.049 (5)* | |
O2 | 0.44911 (7) | 0.93407 (10) | 0.74558 (6) | 0.0224 (2) | |
O3 | 0.45229 (6) | 0.75473 (10) | 0.42926 (5) | 0.01955 (19) | |
O4 | 0.72544 (6) | 0.50207 (10) | 0.50890 (6) | 0.02089 (19) | |
O5 | 0.61863 (7) | 0.54719 (10) | −0.08390 (5) | 0.01985 (19) | |
C1 | 0.63266 (9) | 0.66965 (13) | 0.64416 (8) | 0.0166 (2) | |
C2 | 0.58866 (9) | 0.75693 (13) | 0.71251 (8) | 0.0181 (2) | |
H2 | 0.6199 | 0.7560 | 0.7771 | 0.022* | |
C3 | 0.49855 (9) | 0.84502 (13) | 0.68446 (8) | 0.0176 (2) | |
C4 | 0.45027 (9) | 0.84618 (14) | 0.58972 (8) | 0.0177 (2) | |
H4 | 0.3869 | 0.9041 | 0.5724 | 0.021* | |
C5 | 0.49567 (9) | 0.76227 (13) | 0.52174 (8) | 0.0163 (2) | |
C6 | 0.59130 (8) | 0.67424 (13) | 0.54579 (7) | 0.0160 (2) | |
C7 | 0.49545 (11) | 0.93606 (16) | 0.84345 (8) | 0.0257 (3) | |
H7A | 0.4487 | 0.9924 | 0.8815 | 0.039* | |
H7B | 0.5632 | 0.9917 | 0.8491 | 0.039* | |
H7C | 0.5061 | 0.8255 | 0.8665 | 0.039* | |
C8 | 0.35464 (9) | 0.83628 (15) | 0.40224 (8) | 0.0210 (2) | |
H8A | 0.3332 | 0.8236 | 0.3337 | 0.032* | |
H8B | 0.3632 | 0.9507 | 0.4176 | 0.032* | |
H8C | 0.3008 | 0.7903 | 0.4370 | 0.032* | |
C9 | 0.64968 (9) | 0.59271 (13) | 0.47819 (8) | 0.0170 (2) | |
C10 | 0.62915 (9) | 0.61886 (14) | 0.37466 (8) | 0.0180 (2) | |
H10 | 0.5914 | 0.7110 | 0.3497 | 0.022* | |
C11 | 0.66420 (9) | 0.51130 (14) | 0.31598 (8) | 0.0179 (2) | |
H11 | 0.6976 | 0.4182 | 0.3446 | 0.022* | |
C12 | 0.65630 (8) | 0.52262 (14) | 0.21240 (8) | 0.0170 (2) | |
C13 | 0.67036 (9) | 0.38511 (14) | 0.15961 (8) | 0.0194 (2) | |
H13 | 0.6880 | 0.2870 | 0.1922 | 0.023* | |
C14 | 0.65939 (9) | 0.38694 (14) | 0.06058 (8) | 0.0191 (2) | |
H14 | 0.6686 | 0.2912 | 0.0262 | 0.023* | |
C15 | 0.63480 (8) | 0.53098 (14) | 0.01267 (8) | 0.0166 (2) | |
C16 | 0.62576 (9) | 0.67210 (14) | 0.06464 (8) | 0.0192 (2) | |
H16 | 0.6127 | 0.7714 | 0.0322 | 0.023* | |
C17 | 0.63562 (9) | 0.66808 (14) | 0.16271 (8) | 0.0183 (2) | |
H17 | 0.6284 | 0.7645 | 0.1971 | 0.022* | |
C18 | 0.63148 (10) | 0.40641 (15) | −0.13935 (8) | 0.0219 (2) | |
H18A | 0.6141 | 0.4319 | −0.2071 | 0.033* | |
H18B | 0.5847 | 0.3215 | −0.1222 | 0.033* | |
H18C | 0.7045 | 0.3696 | −0.1267 | 0.033* |