x | y | z | Uiso*/Ueq | ||
O1 | 0.0403 (2) | 0.2994 (9) | 0.14926 (11) | 0.0562 (9) | |
O2 | 0.0632 (2) | 0.0415 (9) | 0.07711 (9) | 0.0559 (9) | |
C1 | 0.1298 (4) | 0.5245 (10) | 0.23674 (14) | 0.0449 (11) | |
H1 | 0.0526 | 0.5667 | 0.2281 | 0.054* | |
C2 | 0.1481 (3) | 0.2566 (10) | 0.16162 (13) | 0.0372 (9) | |
C10 | 0.1719 (3) | 0.0080 (10) | 0.08756 (13) | 0.0403 (10) | |
C3 | 0.1795 (4) | 0.6154 (11) | 0.27952 (14) | 0.0531 (12) | |
H3 | 0.1357 | 0.7162 | 0.2999 | 0.064* | |
C14 | 0.1811 (4) | −0.5082 (11) | −0.06124 (13) | 0.0473 (11) | |
H12 | 0.1031 | −0.5413 | −0.0610 | 0.057* | |
C12 | 0.1891 (4) | −0.2364 (10) | 0.01330 (13) | 0.0418 (10) | |
H6 | 0.1098 | −0.2428 | 0.0093 | 0.050* | |
C7 | 0.1950 (3) | 0.3694 (9) | 0.20651 (12) | 0.0362 (9) | |
C8 | 0.2206 (3) | 0.1046 (10) | 0.13289 (12) | 0.0363 (9) | |
C15 | 0.2328 (4) | −0.6146 (11) | −0.09835 (14) | 0.0546 (13) | |
H11 | 0.1895 | −0.7214 | −0.1227 | 0.065* | |
C11 | 0.2385 (4) | −0.1217 (10) | 0.05304 (13) | 0.0421 (10) | |
H7 | 0.3177 | −0.1241 | 0.0590 | 0.050* | |
C4 | 0.2948 (4) | 0.5566 (11) | 0.29212 (14) | 0.0532 (12) | |
H4 | 0.3282 | 0.6208 | 0.3209 | 0.064* | |
C6 | 0.3095 (3) | 0.3138 (10) | 0.22020 (12) | 0.0379 (9) | |
C9 | 0.3401 (4) | 0.0457 (11) | 0.14931 (13) | 0.0445 (10) | |
C16 | 0.3483 (4) | −0.5624 (11) | −0.09925 (14) | 0.0536 (12) | |
H10 | 0.3824 | −0.6308 | −0.1244 | 0.064* | |
C5 | 0.3595 (4) | 0.4068 (11) | 0.26304 (14) | 0.0507 (11) | |
H5 | 0.4368 | 0.3669 | 0.2718 | 0.061* | |
O3 | 0.3791 (2) | 0.1608 (8) | 0.19242 (9) | 0.0485 (8) | |
C17 | 0.4132 (4) | −0.4082 (12) | −0.06275 (15) | 0.0538 (12) | |
H9 | 0.4912 | −0.3759 | −0.0630 | 0.065* | |
O4 | 0.4098 (3) | −0.0973 (11) | 0.12993 (11) | 0.0753 (12) | |
C18 | 0.3610 (4) | −0.3021 (11) | −0.02576 (13) | 0.0471 (11) | |
H8 | 0.4046 | −0.1954 | −0.0015 | 0.057* | |
C13 | 0.2453 (4) | −0.3519 (10) | −0.02429 (13) | 0.0386 (9) | |
H2 | 0.022 (6) | 0.181 (17) | 0.120 (2) | 0.13 (2)* |