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. 2008 Oct 4;64(Pt 11):o2070. doi: 10.1107/S1600536808031395
x y z Uiso*/Ueq
Br1 1.08310 (11) 0.22527 (11) 1.13545 (4) 0.0685 (2)
O1 0.2012 (5) −0.3701 (5) 0.99811 (12) 0.0474 (7)
O2 −0.3678 (6) −0.2844 (6) 0.91908 (13) 0.0509 (8)
H2 −0.2458 −0.2481 0.9327 0.076*
N1 0.1759 (5) 0.0647 (6) 0.96274 (13) 0.0379 (7)
N2 −0.0057 (5) −0.0129 (6) 0.93167 (12) 0.0377 (7)
C18 0.7851 (7) 0.2520 (7) 1.04481 (17) 0.0407 (9)
H18 0.8775 0.3902 1.0342 0.049*
C1 0.8295 (7) 0.1191 (9) 1.09188 (16) 0.0433 (9)
C2 0.6996 (7) −0.0854 (9) 1.10869 (16) 0.0480 (10)
H2A 0.7329 −0.1711 1.1410 0.058*
C3 0.5173 (7) −0.1632 (8) 1.07685 (17) 0.0432 (10)
H3 0.4282 −0.3052 1.0875 0.052*
C4 0.4659 (6) −0.0328 (7) 1.02954 (15) 0.0340 (8)
C5 0.6012 (6) 0.1770 (7) 1.01362 (16) 0.0369 (8)
H5 0.5673 0.2669 0.9818 0.044*
C6 0.2705 (6) −0.1305 (8) 0.99609 (15) 0.0350 (8)
C7 −0.0776 (6) 0.1545 (8) 0.89501 (16) 0.0357 (8)
H7 −0.0023 0.3190 0.8893 0.043*
C8 −0.2727 (6) 0.0903 (7) 0.86278 (15) 0.0361 (8)
C9 −0.4138 (6) −0.1175 (8) 0.87700 (16) 0.0399 (9)
C10 −0.6139 (7) −0.1627 (9) 0.8477 (2) 0.0513 (11)
H10 −0.7084 −0.2975 0.8587 0.062*
C11 −0.6716 (6) −0.0146 (9) 0.80394 (19) 0.0527 (11)
H11 −0.8065 −0.0462 0.7857 0.063*
C12 −0.5319 (7) 0.1866 (8) 0.78536 (19) 0.0459 (10)
C13 −0.5851 (8) 0.3322 (10) 0.7382 (2) 0.0558 (12)
H13 −0.7177 0.2963 0.7191 0.067*
C14 −0.4491 (8) 0.5229 (10) 0.71980 (18) 0.0596 (12)
H14 −0.4861 0.6156 0.6883 0.071*
C15 −0.2513 (8) 0.5774 (10) 0.74925 (17) 0.0568 (11)
H15 −0.1576 0.7101 0.7372 0.068*
C16 −0.1927 (6) 0.4422 (8) 0.79472 (15) 0.0441 (9)
H16 −0.0587 0.4806 0.8129 0.053*
C17 −0.3314 (6) 0.2444 (7) 0.81494 (17) 0.0377 (9)
H1 0.209 (11) 0.245 (4) 0.969 (3) 0.080*