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. 2012 Nov 3;68(Pt 12):o3272–o3273. doi: 10.1107/S1600536812044650
x y z Uiso*/Ueq
O1 0.02716 (16) 0.08341 (7) 0.41101 (7) 0.0343 (2)
O2 0.4112 (3) 0.11125 (12) 0.89447 (9) 0.0693 (4)
O3 0.6594 (3) 0.21980 (8) 0.94461 (8) 0.0584 (4)
N1 0.5674 (2) 0.16321 (9) 0.88471 (8) 0.0386 (3)
C1 0.2098 (2) 0.07918 (8) 0.38436 (8) 0.0223 (2)
C2 0.4494 (2) 0.05901 (8) 0.45303 (8) 0.0206 (2)
H2 0.5684 0.1074 0.4506 0.025*
C3 0.44539 (19) 0.03813 (8) 0.55776 (8) 0.0203 (2)
H3 0.2767 0.0331 0.5629 0.024*
C11 0.2032 (2) 0.09061 (8) 0.28021 (8) 0.0224 (2)
C12 0.3971 (2) 0.12395 (9) 0.24994 (9) 0.0266 (3)
H12 0.5414 0.1391 0.2960 0.032*
C13 0.3792 (2) 0.13495 (10) 0.15237 (9) 0.0333 (3)
H13 0.5096 0.1596 0.1318 0.040*
C14 0.1718 (3) 0.11009 (11) 0.08487 (10) 0.0371 (3)
H14 0.1607 0.1173 0.0181 0.045*
C15 −0.0192 (2) 0.07487 (10) 0.11440 (9) 0.0358 (3)
H15 −0.1599 0.0565 0.0680 0.043*
C16 −0.0049 (2) 0.06645 (9) 0.21178 (9) 0.0287 (3)
H16 −0.1381 0.0440 0.2320 0.034*
C21 0.5883 (2) 0.09762 (8) 0.63665 (8) 0.0209 (2)
C22 0.5151 (2) 0.10549 (8) 0.72138 (8) 0.0245 (2)
H22 0.3736 0.0762 0.7275 0.029*
C23 0.6502 (2) 0.15632 (8) 0.79654 (9) 0.0276 (3)
C24 0.8559 (2) 0.20118 (9) 0.79156 (9) 0.0319 (3)
H24 0.9447 0.2362 0.8441 0.038*
C25 0.9279 (2) 0.19330 (9) 0.70728 (10) 0.0307 (3)
H25 1.0684 0.2235 0.7015 0.037*
C26 0.7973 (2) 0.14165 (8) 0.63095 (9) 0.0254 (2)
H26 0.8512 0.1363 0.5740 0.030*