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. 2018 Mar 16;74(Pt 4):530–534. doi: 10.1107/S2056989018004188
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*