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. 2014 Jun 7;70(Pt 7):o752–o753. doi: 10.1107/S1600536814012562
x y z Uiso*/Ueq
O1 0.3166 (2) 0.3573 (2) 0.70834 (5) 0.0287 (3)
O2 0.2328 (3) 0.2934 (2) 0.51283 (6) 0.0333 (3)
O3 0.3843 (3) 0.6459 (2) 0.56835 (6) 0.0322 (3)
H3 0.529 (9) 0.681 (8) 0.540 (2) 0.117 (15)*
O4 1.3191 (3) 1.1439 (2) 0.91390 (6) 0.0347 (3)
N1 0.3525 (3) 0.7850 (2) 0.72813 (6) 0.0238 (3)
H1 0.2927 0.9262 0.7169 0.029*
C1 0.2405 (3) 0.5648 (3) 0.70006 (7) 0.0212 (3)
C2 0.0055 (3) 0.5917 (3) 0.65734 (7) 0.0236 (3)
H2A −0.1643 0.5631 0.6801 0.028*
H2B 0.0205 0.7669 0.6428 0.028*
C3 −0.0012 (3) 0.4045 (3) 0.60311 (7) 0.0230 (3)
C4 0.2171 (3) 0.4458 (3) 0.55784 (7) 0.0235 (3)
C5 −0.1886 (4) 0.2087 (3) 0.59389 (8) 0.0302 (4)
H5A −0.335 (4) 0.171 (4) 0.6228 (10) 0.030 (5)*
H5B −0.180 (5) 0.095 (5) 0.5563 (12) 0.051 (7)*
C6 0.5569 (3) 0.8108 (3) 0.77393 (7) 0.0216 (3)
C7 0.7359 (3) 1.0308 (3) 0.77582 (8) 0.0257 (4)
H7 0.7233 1.1541 0.7461 0.031*
C8 0.9319 (3) 1.0702 (3) 0.82088 (8) 0.0254 (4)
H8 1.0534 1.2211 0.8218 0.030*
C9 0.9549 (3) 0.8921 (3) 0.86518 (7) 0.0223 (3)
C10 0.7744 (3) 0.6724 (3) 0.86265 (7) 0.0255 (4)
H10 0.7873 0.5488 0.8923 0.031*
C11 0.5764 (3) 0.6305 (3) 0.81778 (8) 0.0255 (4)
H11 0.4545 0.4799 0.8168 0.031*
C12 1.1696 (3) 0.9468 (3) 0.91332 (7) 0.0253 (4)
C13 1.1922 (4) 0.7541 (3) 0.96093 (8) 0.0343 (4)
H13A 1.2316 0.5927 0.9409 0.051*
H13B 1.0227 0.7275 0.9830 0.051*
H13C 1.3371 0.8164 0.9899 0.051*