x | y | z | Uiso*/Ueq | ||
O3 | 0.05338 (12) | 0.1955 (3) | 0.65709 (16) | 0.0967 (6) | |
O1 | −0.19810 (13) | 0.3433 (3) | 0.65369 (16) | 0.1016 (7) | |
O4 | 0.04152 (14) | 0.5177 (3) | 0.6031 (2) | 0.1233 (9) | |
C7 | −0.01924 (18) | 0.1455 (4) | 0.64140 (19) | 0.0869 (8) | |
C4 | −0.15790 (19) | 0.0068 (4) | 0.61057 (19) | 0.0905 (8) | |
C6 | −0.07476 (18) | 0.2783 (4) | 0.6568 (2) | 0.0904 (8) | |
H6 | −0.0662 | 0.4119 | 0.6776 | 0.108* | |
C11 | 0.15865 (18) | 0.3838 (4) | 0.63538 (19) | 0.0860 (8) | |
C5 | −0.14356 (18) | 0.2044 (4) | 0.63979 (19) | 0.0869 (8) | |
C9 | −0.1001 (2) | −0.1235 (4) | 0.5982 (2) | 0.0974 (9) | |
H9 | −0.1086 | −0.2586 | 0.5797 | 0.117* | |
C10 | 0.0789 (2) | 0.3799 (4) | 0.6300 (2) | 0.0907 (8) | |
C12 | 0.1920 (2) | 0.5629 (4) | 0.6107 (2) | 0.0974 (9) | |
H12 | 0.1645 | 0.6774 | 0.5935 | 0.117* | |
C14 | 0.3083 (2) | 0.4064 (5) | 0.6350 (2) | 0.0971 (9) | |
C8 | −0.0311 (2) | −0.0549 (4) | 0.6129 (2) | 0.0933 (8) | |
H8 | 0.0073 | −0.1419 | 0.6038 | 0.112* | |
C3 | −0.2317 (2) | −0.0532 (5) | 0.5957 (2) | 0.1066 (10) | |
H3 | −0.2432 | −0.1866 | 0.5774 | 0.128* | |
O2 | −0.31255 (16) | 0.4209 (5) | 0.6509 (2) | 0.1421 (11) | |
C13 | 0.2657 (2) | 0.5738 (5) | 0.6111 (2) | 0.1024 (10) | |
H13 | 0.2872 | 0.6965 | 0.5950 | 0.123* | |
C16 | 0.20033 (19) | 0.2163 (4) | 0.6614 (2) | 0.0957 (9) | |
H16 | 0.1788 | 0.0951 | 0.6794 | 0.115* | |
C15 | 0.2743 (2) | 0.2284 (5) | 0.6607 (2) | 0.1034 (10) | |
H15 | 0.3018 | 0.1140 | 0.6781 | 0.124* | |
C1 | −0.2694 (2) | 0.2881 (6) | 0.6378 (3) | 0.1124 (10) | |
C2 | −0.2839 (2) | 0.0826 (6) | 0.6080 (3) | 0.1137 (11) | |
H2 | −0.3314 | 0.0415 | 0.5968 | 0.136* | |
C17 | 0.3902 (2) | 0.4102 (6) | 0.6331 (3) | 0.1112 (10) | |
C18 | 0.4185 (3) | 0.6214 (7) | 0.6053 (4) | 0.1529 (18) | |
H18A | 0.3973 | 0.6606 | 0.5423 | 0.229* | |
H18B | 0.4062 | 0.7200 | 0.6535 | 0.229* | |
H18C | 0.4697 | 0.6157 | 0.6028 | 0.229* | |
C19 | 0.4251 (3) | 0.3551 (9) | 0.7329 (4) | 0.170 (2) | |
H19A | 0.4763 | 0.3583 | 0.7302 | 0.256* | |
H19B | 0.4107 | 0.4518 | 0.7807 | 0.256* | |
H19C | 0.4103 | 0.2205 | 0.7508 | 0.256* | |
C20 | 0.4126 (3) | 0.2572 (8) | 0.5546 (4) | 0.166 (2) | |
H20A | 0.3901 | 0.2942 | 0.4920 | 0.249* | |
H20B | 0.4638 | 0.2604 | 0.5512 | 0.249* | |
H20C | 0.3979 | 0.1219 | 0.5717 | 0.249* |