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. 2012 Feb 4;68(Pt 3):o584. doi: 10.1107/S1600536812002656
x y z Uiso*/Ueq
Br1 1.23629 (4) 0.91785 (2) 0.915580 (19) 0.04170 (10)
S1 0.69071 (9) 0.27380 (6) 0.84528 (4) 0.03194 (13)
O1 0.8013 (2) 0.10195 (16) 0.53135 (13) 0.0336 (3)
O2 0.4646 (3) 0.2757 (2) 0.86938 (15) 0.0462 (4)
C1 0.6970 (3) 0.2139 (2) 0.69530 (17) 0.0274 (4)
C2 0.5786 (3) 0.2405 (2) 0.59942 (17) 0.0265 (4)
C3 0.4234 (4) 0.3139 (2) 0.5861 (2) 0.0332 (5)
H3 0.3725 0.3633 0.6524 0.040*
C4 0.3442 (4) 0.3134 (3) 0.4742 (2) 0.0396 (5)
C5 0.4239 (4) 0.2411 (3) 0.3781 (2) 0.0453 (6)
H5 0.3709 0.2433 0.3022 0.054*
C6 0.5762 (4) 0.1665 (3) 0.3889 (2) 0.0410 (5)
H6 0.6276 0.1169 0.3229 0.049*
C7 0.6492 (3) 0.1686 (2) 0.50126 (18) 0.0303 (4)
C8 0.8253 (3) 0.1306 (2) 0.65040 (18) 0.0298 (4)
C9 0.1740 (4) 0.3903 (3) 0.4573 (3) 0.0570 (8)
H9A 0.0339 0.3220 0.4338 0.086*
H9B 0.2114 0.4437 0.3966 0.086*
H9C 0.1660 0.4550 0.5305 0.086*
C10 0.9846 (4) 0.0710 (3) 0.7040 (2) 0.0406 (5)
H10A 1.1308 0.1223 0.6938 0.061*
H10B 0.9612 −0.0286 0.6664 0.061*
H10C 0.9671 0.0797 0.7874 0.061*
C11 0.8359 (3) 0.4538 (2) 0.85581 (16) 0.0277 (4)
C12 0.7417 (4) 0.5610 (2) 0.89976 (19) 0.0334 (5)
H12 0.5963 0.5394 0.9183 0.040*
C13 0.8589 (4) 0.7004 (2) 0.91705 (19) 0.0354 (5)
H13 0.7951 0.7747 0.9475 0.042*
C14 1.0693 (4) 0.7290 (2) 0.88928 (17) 0.0304 (4)
C15 1.1664 (4) 0.6220 (2) 0.84572 (19) 0.0344 (5)
H15 1.3117 0.6438 0.8269 0.041*
C16 1.0498 (4) 0.4837 (2) 0.83008 (19) 0.0342 (5)
H16 1.1152 0.4094 0.8019 0.041*