J. Ondracek et al., CRYSTAL AND MOLECULAR-STRUCTURE DETERMINATION OF N-N'-DIPHENYLACETAMIDINIUM TRIFLUOROACETATE, Collection of Czechoslovak Chemical Communications, 60(4), 1995, pp. 576-582
The structure of N,N'-diphenylacetamidinium trifluoroacetate - a model
of the lactate dehydrogenase binding site - was solved by direct meth
ods and anisotropically refined to R = 0.032 for 1 475 unique observed
reflections. The compound crystallizes in the monoclinic space group
P2(1)/m, a = 5.942(1), b = 17.256(2), c = 7.817(1) Angstrom, beta = 10
3.05(1)degrees, V = 780.8(1) Angstrom(3), Z = 2, D-calc = 1.38 g cm(-3
),mu(MoK alpha) = 0.11 mm(-1), F(000) = 336.