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. 2008 Dec 13;65(Pt 1):o121–o122. doi: 10.1107/S1600536808042086
x y z Uiso*/Ueq
Br1 0.26262 (5) 0.44009 (6) 0.82641 (7) 0.0611 (3)
N1 0.18896 (19) 0.0693 (3) 0.8527 (4) 0.0237 (8)
N2 0.28839 (18) 0.1536 (3) 0.8601 (4) 0.0199 (8)
C1 0.1919 (2) 0.0981 (4) 0.6940 (5) 0.0246 (10)
H1A 0.1486 0.1310 0.6561 0.030*
H1B 0.1990 0.0429 0.6306 0.030*
C2 0.2573 (2) 0.1665 (3) 0.7014 (5) 0.0233 (9)
H2A 0.2908 0.1477 0.6302 0.028*
H2B 0.2427 0.2325 0.6820 0.028*
C3 0.2464 (2) 0.0999 (4) 0.9361 (5) 0.0228 (9)
H3 0.2565 0.0844 1.0420 0.027*
C4 0.3567 (2) 0.1972 (3) 0.9213 (5) 0.0238 (9)
H4A 0.3690 0.1732 1.0225 0.029*
H4B 0.3508 0.2662 0.9277 0.029*
C5 0.4179 (2) 0.1750 (3) 0.8235 (5) 0.0227 (9)
C6 0.4328 (2) 0.0805 (3) 0.7758 (5) 0.0219 (9)
C7 0.4901 (3) 0.0680 (4) 0.6813 (6) 0.0299 (11)
H7 0.5011 0.0042 0.6464 0.036*
C8 0.5299 (3) 0.1449 (5) 0.6396 (6) 0.0355 (12)
H8 0.5685 0.1346 0.5761 0.043*
C9 0.5154 (3) 0.2370 (4) 0.6871 (6) 0.0343 (12)
H9 0.5437 0.2907 0.6574 0.041*
C10 0.4585 (2) 0.2522 (4) 0.7797 (6) 0.0277 (10)
H10 0.4480 0.3166 0.8125 0.033*
C11 0.3903 (2) −0.0055 (3) 0.8174 (5) 0.0214 (9)
C12 0.3899 (3) −0.0353 (4) 0.9702 (6) 0.0289 (11)
H12 0.4185 −0.0014 1.0490 0.035*
C13 0.3481 (3) −0.1133 (4) 1.0064 (6) 0.0340 (11)
H13 0.3475 −0.1326 1.1108 0.041*
C14 0.3074 (3) −0.1638 (4) 0.8945 (7) 0.0368 (12)
H14 0.2792 −0.2185 0.9211 0.044*
C15 0.3072 (3) −0.1356 (4) 0.7439 (6) 0.0345 (11)
H15 0.2786 −0.1704 0.6660 0.041*
C16 0.3487 (2) −0.0567 (3) 0.7052 (5) 0.0247 (10)
H16 0.3485 −0.0375 0.6005 0.030*
C17 0.1316 (2) 0.0098 (4) 0.9081 (6) 0.0260 (10)
H17A 0.1407 0.0013 1.0162 0.031*
H17B 0.1319 −0.0530 0.8614 0.031*
C18 0.0574 (2) 0.0560 (3) 0.8730 (5) 0.0220 (9)
C19 0.0392 (2) 0.1386 (3) 0.9524 (6) 0.0254 (10)
C20 −0.0292 (3) 0.1791 (4) 0.9211 (6) 0.0308 (11)
H20 −0.0419 0.2359 0.9756 0.037*
C21 −0.0789 (2) 0.1391 (4) 0.8132 (6) 0.0326 (11)
C22 −0.0600 (3) 0.0574 (4) 0.7337 (6) 0.0303 (11)
H22 −0.0941 0.0300 0.6574 0.036*
C23 0.0079 (2) 0.0142 (4) 0.7626 (5) 0.0256 (10)
C24 0.0914 (3) 0.1861 (4) 1.0706 (7) 0.0422 (13)
H24A 0.1256 0.2240 1.0207 0.063*
H24B 0.1164 0.1371 1.1320 0.063*
H24C 0.0655 0.2275 1.1341 0.063*
C25 −0.1526 (3) 0.1846 (5) 0.7800 (9) 0.0527 (17)
H25A −0.1505 0.2329 0.7022 0.079*
H25B −0.1671 0.2143 0.8709 0.079*
H25C −0.1868 0.1355 0.7460 0.079*
C26 0.0244 (3) −0.0751 (4) 0.6756 (7) 0.0387 (12)
H26A −0.0163 −0.0912 0.6056 0.058*
H26B 0.0344 −0.1279 0.7452 0.058*
H26C 0.0656 −0.0635 0.6201 0.058*