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. 2011 Jan 8;67(Pt 2):o253. doi: 10.1107/S1600536810053250
x y z Uiso*/Ueq
O3 0.21039 (13) 0.15916 (7) 0.50800 (11) 0.0497 (3)
O4 0.37760 (12) 0.11610 (7) 0.33485 (12) 0.0504 (3)
C6 0.22965 (17) −0.10004 (11) 0.49185 (16) 0.0421 (4)
H6 0.1613 −0.1134 0.5596 0.050*
O1 0.10857 (14) 0.05240 (7) 0.64457 (11) 0.0556 (3)
O2 0.44968 (12) −0.03377 (8) 0.30745 (12) 0.0559 (3)
N2 0.29233 (14) −0.17386 (8) 0.43038 (13) 0.0455 (3)
H2 0.3571 −0.1614 0.3692 0.055*
C7 0.25719 (16) −0.00541 (10) 0.46383 (15) 0.0388 (3)
N1 0.17056 (15) −0.28950 (8) 0.55799 (13) 0.0474 (4)
C1 0.1423 (2) −0.38227 (11) 0.58158 (18) 0.0532 (4)
H1 0.0776 −0.3976 0.6515 0.064*
C9 0.18429 (18) 0.06634 (10) 0.54492 (16) 0.0428 (4)
C8 0.36562 (17) 0.02142 (11) 0.36380 (16) 0.0434 (4)
C5 0.26224 (16) −0.27096 (10) 0.45637 (16) 0.0400 (4)
C3 0.2993 (2) −0.43431 (11) 0.40519 (18) 0.0547 (5)
H3 0.3432 −0.4829 0.3548 0.066*
C4 0.32929 (19) −0.34013 (11) 0.37743 (17) 0.0487 (4)
H4 0.3930 −0.3233 0.3074 0.058*
C12 0.11654 (19) 0.16341 (11) 0.26210 (16) 0.0493 (4)
H12B 0.1452 0.1783 0.1689 0.074*
H12C 0.0343 0.2048 0.2851 0.074*
H12A 0.0833 0.0980 0.2649 0.074*
C11 0.3145 (2) 0.27839 (11) 0.36841 (19) 0.0606 (5)
H11A 0.3519 0.2923 0.2781 0.091*
H11C 0.3969 0.2843 0.4412 0.091*
H11B 0.2342 0.3226 0.3864 0.091*
C2 0.2036 (2) −0.45560 (11) 0.50844 (18) 0.0582 (5)
H2A 0.1806 −0.5189 0.5286 0.070*
C10 0.25227 (18) 0.17780 (10) 0.36764 (16) 0.0439 (4)