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. 2012 Jan 25;68(Pt 2):o519. doi: 10.1107/S1600536812002383
x y z Uiso*/Ueq
Br1 0.28762 (3) 0.70007 (12) 0.35364 (3) 0.0891 (3)
O1 −0.1362 (2) 0.6167 (5) 0.3893 (3) 0.1018 (14)
N1 −0.0827 (2) 1.0487 (6) 0.37965 (19) 0.0562 (9)
Cl1 −0.52585 (7) 0.1650 (2) 0.38444 (7) 0.0663 (3)
C1 0.0462 (3) 0.7777 (7) 0.4237 (2) 0.0594 (10)
H1A 0.0171 0.6980 0.4604 0.071*
C2 0.1300 (3) 0.7001 (8) 0.4179 (2) 0.0607 (10)
H2A 0.1574 0.5677 0.4504 0.073*
C3 0.1732 (3) 0.8182 (8) 0.3642 (2) 0.0573 (9)
C4 0.1331 (3) 1.0177 (8) 0.3172 (2) 0.0667 (11)
H4A 0.1627 1.1011 0.2814 0.080*
C5 0.0495 (3) 1.0933 (8) 0.3232 (3) 0.0652 (11)
H5A 0.0226 1.2285 0.2914 0.078*
C6 0.0047 (2) 0.9718 (6) 0.3758 (2) 0.0471 (8)
C7 −0.1479 (3) 0.8708 (6) 0.3853 (2) 0.0597 (10)
C8 −0.2359 (3) 1.0010 (7) 0.3854 (3) 0.0756 (14)
H8A −0.2475 1.1210 0.3421 0.091*
H8B −0.2354 1.1186 0.4291 0.091*
C9 −0.3081 (3) 0.7905 (7) 0.3849 (3) 0.0626 (12)
C10 −0.3510 (3) 0.6898 (7) 0.3188 (3) 0.0634 (11)
H10A −0.3350 0.7532 0.2740 0.076*
C11 −0.4175 (3) 0.4957 (7) 0.3185 (2) 0.0578 (9)
H11A −0.4465 0.4305 0.2739 0.069*
C12 −0.4396 (2) 0.4024 (7) 0.3850 (2) 0.0491 (9)
C13 −0.3986 (3) 0.4935 (8) 0.4515 (2) 0.0577 (9)
H13A −0.4145 0.4264 0.4960 0.069*
C14 −0.3332 (3) 0.6879 (8) 0.4508 (3) 0.0625 (11)
H14A −0.3049 0.7522 0.4957 0.075*
H1N1 −0.087 (3) 1.197 (8) 0.376 (2) 0.058 (12)*