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. 2018 Aug 24;74(Pt 9):1319–1321. doi: 10.1107/S2056989018011647
x y z Uiso*/Ueq
O3 0.6461 (3) 0.33269 (14) 0.01419 (12) 0.0536 (4)
H3 0.796 (5) 0.389 (3) 0.002 (3) 0.104 (10)*
O1 0.9195 (2) 0.59305 (13) 0.12532 (12) 0.0518 (3)
O2 0.0447 (3) 0.36386 (14) 0.31887 (13) 0.0647 (4)
C1 0.7232 (3) 0.54469 (17) 0.17533 (15) 0.0388 (4)
C2 0.5615 (3) 0.39989 (17) 0.11881 (15) 0.0403 (4)
C3 0.3415 (3) 0.33844 (17) 0.16560 (15) 0.0419 (4)
C4 0.2483 (3) 0.41556 (18) 0.27733 (16) 0.0431 (4)
C5 0.3230 (4) 0.6358 (2) 0.44404 (17) 0.0511 (4)
H5 0.1693 0.5951 0.4767 0.061*
C6 0.4664 (4) 0.7695 (2) 0.50175 (19) 0.0586 (5)
H6 0.4109 0.8182 0.5740 0.070*
C7 0.6917 (4) 0.8311 (2) 0.4525 (2) 0.0642 (6)
H7 0.7871 0.9218 0.4915 0.077*
C8 0.7782 (3) 0.7597 (2) 0.34557 (18) 0.0530 (5)
H8 0.9302 0.8021 0.3123 0.064*
C9 0.6345 (3) 0.62361 (16) 0.28851 (15) 0.0389 (4)
C10 0.4061 (3) 0.56178 (17) 0.33796 (15) 0.0397 (4)
C11 0.1798 (4) 0.19019 (18) 0.10516 (18) 0.0536 (5)
H11A 0.0054 0.1811 0.1290 0.064*
H11B 0.1751 0.1833 0.0103 0.064*
C12 0.2779 (4) 0.07067 (19) 0.14761 (17) 0.0552 (5)
C13 0.3566 (5) −0.0258 (2) 0.1781 (2) 0.0829 (7)
H13 0.4196 −0.1030 0.2026 0.099*