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. 2012 Feb 4;68(Pt 3):o574. doi: 10.1107/S1600536812003376
x y z Uiso*/Ueq
Cl1 0.43760 (4) 0.34411 (8) 0.78566 (6) 0.04706 (19)
O1 0.06760 (8) 0.42742 (17) 0.78729 (10) 0.0207 (3)
O2 0.08852 (9) 0.22946 (18) 0.93513 (11) 0.0261 (3)
O3 −0.19477 (9) 0.33623 (17) 0.87422 (11) 0.0257 (3)
O4 −0.05715 (9) 0.31077 (18) 1.01368 (11) 0.0282 (3)
C1 0.32829 (13) 0.3605 (3) 0.78930 (18) 0.0278 (5)
C2 0.25165 (13) 0.3316 (3) 0.69014 (17) 0.0268 (4)
H2 0.2583 0.2995 0.6212 0.032*
C3 0.16458 (13) 0.3502 (2) 0.69216 (16) 0.0224 (4)
H3 0.1108 0.3305 0.6249 0.027*
C4 0.15761 (12) 0.3978 (2) 0.79363 (15) 0.0198 (4)
C5 0.23437 (13) 0.4279 (3) 0.89344 (15) 0.0233 (4)
H5 0.2278 0.4620 0.9621 0.028*
C6 0.32111 (13) 0.4072 (3) 0.89098 (17) 0.0281 (4)
H6 0.3750 0.4249 0.9585 0.034*
C7 0.03900 (13) 0.3290 (2) 0.85939 (15) 0.0194 (4)
C8 −0.06155 (12) 0.3544 (2) 0.82490 (15) 0.0189 (4)
C9 −0.09937 (13) 0.3309 (2) 0.91268 (16) 0.0216 (4)
C10 −0.25169 (13) 0.3560 (2) 0.76084 (16) 0.0235 (4)
C11 −0.21523 (13) 0.3850 (2) 0.67830 (16) 0.0218 (4)
C12 −0.11740 (13) 0.3840 (2) 0.71464 (15) 0.0199 (4)
H12 −0.0910 0.4045 0.6600 0.024*
C13 −0.27666 (14) 0.4046 (3) 0.56409 (17) 0.0276 (4)
H13 −0.2535 0.4265 0.5065 0.033*
C14 −0.37008 (14) 0.3924 (3) 0.53509 (18) 0.0338 (5)
H14 −0.4114 0.4052 0.4575 0.041*
C15 −0.40409 (14) 0.3612 (3) 0.6193 (2) 0.0352 (5)
H15 −0.4688 0.3515 0.5985 0.042*
C16 −0.34558 (14) 0.3440 (3) 0.73263 (19) 0.0305 (5)
H16 −0.3692 0.3243 0.7900 0.037*