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. 2008 Dec 20;65(Pt 1):o164–o165. doi: 10.1107/S160053680804261X
x y z Uiso*/Ueq
O1 0.0477 (5) 0.4383 (3) 0.06246 (17) 0.0418 (7)
O2 0.5454 (4) 0.3133 (2) −0.01098 (14) 0.0355 (6)
C3 −0.0344 (7) 0.7839 (4) 0.1635 (2) 0.0361 (8)
H3A −0.1615 0.7951 0.1962 0.043*
C11 0.5311 (6) 0.3306 (3) 0.0549 (2) 0.0303 (7)
C2 0.0105 (6) 0.6644 (3) 0.1340 (2) 0.0324 (7)
H2A −0.0858 0.5940 0.1469 0.039*
C6 0.2476 (6) 0.5168 (3) 0.05323 (19) 0.0291 (7)
H6A 0.283 (8) 0.528 (4) −0.005 (2) 0.035*
C10 0.5749 (7) 0.2346 (3) 0.1141 (2) 0.0388 (8)
H10A 0.7174 0.1845 0.1036 0.047*
H10B 0.4415 0.1751 0.1188 0.047*
C12 0.2900 (8) 0.8713 (4) 0.0969 (2) 0.0423 (9)
H12A 0.3851 0.9420 0.0837 0.051*
C5 0.3327 (7) 0.7509 (3) 0.0683 (2) 0.0373 (8)
H5A 0.4601 0.7397 0.0356 0.045*
C1 0.1955 (6) 0.6465 (3) 0.08574 (18) 0.0288 (7)
C7 0.4634 (6) 0.4583 (4) 0.08953 (19) 0.0322 (7)
H7A 0.595 (8) 0.518 (5) 0.075 (2) 0.039*
C4 0.1048 (6) 0.8865 (3) 0.1455 (2) 0.0330 (7)
C9 0.6046 (7) 0.3132 (4) 0.1835 (2) 0.0443 (9)
H9A 0.7683 0.3411 0.1894 0.053*
H9B 0.5573 0.2637 0.2273 0.053*
C8 0.4435 (8) 0.4280 (4) 0.1717 (2) 0.0415 (9)
H8A 0.4946 0.5019 0.2017 0.050*
H8B 0.2810 0.4063 0.1850 0.050*
Cl1 0.05251 (19) 1.03468 (8) 0.18560 (5) 0.0445 (3)
H1 0.075 (14) 0.358 (6) 0.044 (4) 0.08 (2)*