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. 2016 Oct 18;72(Pt 11):1587–1589. doi: 10.1107/S2056989016016273
x y z Uiso*/Ueq
O1 0.38939 (8) 0.5564 (2) 0.16723 (7) 0.0419 (3)
C1 0.32068 (11) 0.2528 (3) 0.06446 (9) 0.0333 (4)
H1 0.3726 0.2983 0.0413 0.040*
H1A 0.3901 (15) 0.588 (4) 0.2194 (14) 0.060 (6)*
O2 0.09864 (8) 0.0870 (2) 0.17140 (6) 0.0348 (3)
H2 0.0574 (18) −0.059 (5) 0.1389 (14) 0.079 (7)*
C2 0.31656 (11) 0.3787 (3) 0.13488 (9) 0.0321 (4)
C3 0.24081 (11) 0.3235 (3) 0.16913 (9) 0.0317 (4)
H3 0.2370 0.4140 0.2163 0.038*
O3 0.03156 (7) −0.2603 (2) 0.06590 (6) 0.0345 (3)
C4 0.17037 (10) 0.1334 (3) 0.13338 (8) 0.0286 (4)
O4 0.10317 (8) −0.3497 (2) −0.03022 (6) 0.0378 (3)
H4 0.0556 (18) −0.491 (6) −0.0410 (14) 0.080 (7)*
C5 0.17377 (10) −0.0040 (3) 0.06311 (8) 0.0275 (3)
C6 0.25149 (10) 0.0639 (3) 0.02743 (8) 0.0287 (4)
C7 0.25914 (11) −0.0625 (3) −0.04994 (9) 0.0336 (4)
H7A 0.1981 −0.0241 −0.0887 0.040*
H7B 0.2648 −0.2692 −0.0435 0.040*
C8 0.34233 (11) 0.0400 (3) −0.08352 (9) 0.0368 (4)
H8A 0.3396 0.2476 −0.0879 0.044*
H8B 0.4042 −0.0109 −0.0474 0.044*
C9 0.33918 (12) −0.0863 (3) −0.16340 (9) 0.0374 (4)
H9A 0.3426 −0.2939 −0.1587 0.045*
H9B 0.2768 −0.0377 −0.1992 0.045*
C10 0.42080 (13) 0.0161 (4) −0.19841 (10) 0.0454 (5)
H10A 0.4185 0.2240 −0.2015 0.054*
H10B 0.4831 −0.0373 −0.1632 0.054*
C11 0.41710 (14) −0.1014 (4) −0.27894 (11) 0.0516 (5)
H11A 0.4215 −0.3071 −0.2762 0.077*
H11B 0.4713 −0.0265 −0.2982 0.077*
H11C 0.3562 −0.0466 −0.3145 0.077*
C12 0.09866 (10) −0.2112 (3) 0.03296 (8) 0.0283 (3)