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. 2012 Apr 13;68(Pt 5):o1389. doi: 10.1107/S1600536812015127
x y z Uiso*/Ueq
S1 −0.15256 (8) −0.31264 (5) −0.40407 (5) 0.04256 (19)
O1 −0.2124 (3) −0.22979 (16) −0.47627 (16) 0.0639 (7)
N1 −0.0065 (3) −0.36901 (17) −0.45167 (18) 0.0488 (7)
H1 0.0702 −0.3294 −0.4536 0.059*
C1 −0.0021 (3) −0.4790 (2) −0.48927 (19) 0.0355 (6)
C2 −0.1153 (3) −0.5532 (2) −0.4810 (2) 0.0415 (7)
H2 −0.1987 −0.5318 −0.4482 0.050*
C3 −0.1032 (3) −0.6600 (2) −0.5220 (2) 0.0400 (7)
H3 −0.1801 −0.7090 −0.5166 0.048*
C4 0.0197 (3) −0.6959 (2) −0.57082 (17) 0.0357 (6)
C5 0.1315 (3) −0.6196 (2) −0.5777 (2) 0.0395 (6)
H5 0.2149 −0.6404 −0.6107 0.047*
C6 0.1217 (3) −0.5131 (2) −0.5366 (2) 0.0423 (7)
H6 0.1990 −0.4644 −0.5410 0.051*
C7 0.0310 (3) −0.8089 (2) −0.61585 (18) 0.0377 (6)
C8 −0.0253 (3) −0.9024 (2) −0.5693 (2) 0.0476 (8)
H8 −0.0694 −0.8944 −0.5071 0.057*
C9 −0.0181 (4) −1.0075 (2) −0.6126 (2) 0.0558 (8)
H9 −0.0581 −1.0688 −0.5801 0.067*
C10 0.0480 (4) −1.0208 (3) −0.7031 (3) 0.0600 (9)
H10 0.0535 −1.0914 −0.7324 0.072*
C11 0.1060 (3) −0.9301 (3) −0.7507 (2) 0.0586 (9)
H11 0.1514 −0.9395 −0.8122 0.070*
C12 0.0980 (3) −0.8240 (2) −0.7081 (2) 0.0471 (7)
H12 0.1375 −0.7630 −0.7414 0.057*
C13 −0.0712 (3) −0.2310 (2) −0.3024 (2) 0.0461 (7)
C14 −0.1958 (4) −0.1746 (3) −0.2498 (2) 0.0769 (12)
H14A −0.2385 −0.1207 −0.2941 0.115*
H14B −0.1622 −0.1375 −0.1903 0.115*
H14C −0.2656 −0.2299 −0.2316 0.115*
C15 −0.0002 (6) −0.3136 (3) −0.2314 (3) 0.0911 (14)
H15A −0.0670 −0.3713 −0.2138 0.137*
H15B 0.0301 −0.2752 −0.1718 0.137*
H15C 0.0812 −0.3465 −0.2639 0.137*
C16 0.0316 (4) −0.1448 (2) −0.3427 (3) 0.0670 (10)
H16A 0.1088 −0.1818 −0.3767 0.100*
H16B 0.0690 −0.1013 −0.2880 0.100*
H16C −0.0173 −0.0965 −0.3889 0.100*