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. 2017 Mar 17;73(Pt 4):531–534. doi: 10.1107/S2056989017003127
x y z Uiso*/Ueq
O1 0.1048 (2) 0.62026 (7) 0.20002 (11) 0.0221 (4)
O3 −0.4360 (3) 0.73867 (7) 0.01862 (12) 0.0230 (4)
O2 −0.6161 (2) 0.62208 (7) −0.01700 (11) 0.0243 (4)
C10 −0.4499 (3) 0.66119 (10) 0.02530 (16) 0.0184 (4)
C6 0.1914 (3) 0.48387 (10) 0.22525 (16) 0.0181 (4)
N1 −0.0666 (3) 0.67215 (8) 0.14685 (14) 0.0225 (4)
C4 0.5520 (4) 0.44302 (11) 0.34137 (19) 0.0256 (5)
H4 0.692513 0.455560 0.387897 0.031*
C7 0.0322 (4) 0.54579 (9) 0.17410 (16) 0.0174 (4)
C9 −0.2320 (3) 0.62718 (10) 0.09196 (15) 0.0180 (4)
C5 0.4000 (4) 0.50161 (10) 0.29503 (17) 0.0234 (5)
H5 0.438869 0.553372 0.311094 0.028*
C3 0.4941 (4) 0.36559 (11) 0.31817 (17) 0.0249 (5)
H3 0.596502 0.326217 0.348598 0.030*
C1 0.1308 (4) 0.40540 (10) 0.20262 (16) 0.0203 (4)
H1 −0.010182 0.392615 0.156628 0.024*
C12 −0.5855 (4) 0.86283 (11) −0.04174 (18) 0.0273 (5)
H12A −0.579681 0.880375 0.035929 0.041*
H12B −0.711938 0.890614 −0.086440 0.041*
H12C −0.429204 0.872225 −0.071751 0.041*
C8 −0.1780 (3) 0.54715 (9) 0.10639 (16) 0.0185 (4)
H8 −0.267753 0.504983 0.075862 0.022*
C11 −0.6410 (4) 0.77721 (11) −0.04635 (18) 0.0243 (5)
H11A −0.794720 0.766468 −0.012878 0.029*
H11B −0.654755 0.759053 −0.124690 0.029*
C2 0.2846 (4) 0.34724 (10) 0.24996 (17) 0.0237 (5)
H2 0.245566 0.295307 0.235394 0.028*