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. 2010 Nov 24;66(Pt 12):o3294. doi: 10.1107/S1600536810048312
x y z Uiso*/Ueq
Br1 0.77254 (3) 0.41089 (3) 1.064695 (11) 0.01979 (6)
Br2 0.16180 (3) 0.18905 (3) 1.014627 (12) 0.02468 (7)
O1 0.81081 (18) 0.22709 (18) 0.94999 (7) 0.0173 (4)
O2 1.0293 (2) 0.39129 (19) 0.84558 (8) 0.0241 (4)
O3 0.8399 (2) −0.13107 (19) 0.82222 (8) 0.0262 (5)
N2 0.9123 (2) 0.1556 (2) 0.84366 (9) 0.0171 (5)
N1 0.5971 (2) 0.0662 (2) 0.87776 (9) 0.0190 (5)
C1 0.6236 (3) 0.2953 (3) 1.01398 (11) 0.0171 (5)
C2 0.4727 (3) 0.2851 (3) 1.02927 (11) 0.0180 (5)
H2 0.4474 0.3365 1.0630 0.022*
C3 0.3646 (3) 0.1998 (3) 0.99438 (11) 0.0189 (6)
C4 0.3988 (3) 0.1219 (3) 0.94234 (11) 0.0168 (5)
C5 0.2943 (3) 0.0290 (3) 0.90434 (11) 0.0203 (6)
H5 0.1941 0.0150 0.9127 0.024*
C6 0.3416 (3) −0.0401 (3) 0.85523 (12) 0.0222 (6)
H6 0.2736 −0.1005 0.8297 0.027*
C7 0.4956 (3) −0.0190 (3) 0.84358 (11) 0.0185 (6)
H7 0.5262 −0.0676 0.8102 0.022*
C8 0.5505 (3) 0.1348 (3) 0.92702 (11) 0.0167 (5)
C9 0.6633 (3) 0.2237 (3) 0.96423 (10) 0.0144 (5)
C10 0.8431 (3) 0.3518 (3) 0.91172 (11) 0.0199 (6)
H10A 0.8976 0.4317 0.9362 0.024*
H10B 0.7467 0.3946 0.8920 0.024*
C11 0.9396 (3) 0.3002 (3) 0.86413 (11) 0.0167 (5)
C12 0.9771 (3) 0.0828 (3) 0.79679 (11) 0.0171 (6)
C13 1.0774 (3) 0.1524 (3) 0.76220 (11) 0.0219 (6)
H13 1.1071 0.2536 0.7697 0.026*
C14 1.1340 (3) 0.0712 (3) 0.71627 (12) 0.0267 (7)
H14 1.2012 0.1188 0.6934 0.032*
C15 1.0912 (3) −0.0787 (3) 0.70449 (12) 0.0270 (7)
H15 1.1279 −0.1317 0.6733 0.032*
C16 0.9923 (3) −0.1508 (3) 0.73961 (12) 0.0244 (6)
H16 0.9645 −0.2526 0.7322 0.029*
C17 0.9358 (3) −0.0713 (3) 0.78527 (11) 0.0194 (6)
C18 0.8150 (3) −0.2923 (3) 0.82018 (13) 0.0284 (7)
H18A 0.7705 −0.3216 0.7801 0.043*
H18B 0.7460 −0.3198 0.8482 0.043*
H18C 0.9116 −0.3443 0.8308 0.043*
H2A 0.8405 (13) 0.106 (2) 0.8612 (8) 0.032 (8)*