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- W1985293159 abstract "The crystal structure of galactinol dihydrate has been determined by X-ray diffraction. The crystal belongs to the orthorhombic system, space group P2(1)2(1)2, a = 15.898(6), b = 19.357(5), c = 5.104(4) A, and Z = 4. The structure was refined to R = 0.044 for 1818 observed structure amplitudes. The primary hydroxyl group exhibits twofold orientational disorder. The linkage conformation is close to those of alpha-(1 --> 4) linkages in methyl alpha-maltotrioside tetrahydrate and erlose trihydrate. Although there is no interring hydrogen bond in galactinol, an indirect interring hydrogen bond including a water molecule is present. The observed conformation is additionally stabilized by the indirect interring hydrogen bond. The global minimum in the relaxed-residue energy map based on the MM3(92) force-field is close to the observed conformation in the crystal structure. All hydroxyl, ring and water oxygen atoms are involved in a complex three-dimensional hydrogen-bonding network." @default.
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- W1985293159 date "2000-09-01" @default.
- W1985293159 modified "2023-09-26" @default.
- W1985293159 title "Molecular and crystal structure of galactinol dihydrate [1-O-(α-d-galactopyranosyl)-myo-inositol dihydrate]" @default.
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- W1985293159 doi "https://doi.org/10.1016/s0008-6215(00)00087-2" @default.
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