title: Crystal structure of lactitol (4-O-beta-D-galactopyranosyl-D-glucitol).
abstract: Lactitol, C12H24O11, is monoclinic, space group P2(1) with cell dimensions a = 7.614(1), b = 10.757(1), c = 9.370(1) A, beta = 108.19(1) degrees, and V = 729.0(1) A3, Z = 2, Dx = 1.57 Mg.m-3, lambda (Cu-K alpha) = 1.54056 A, mu = 1.166 mm-1, F(000) = 368, and T = 23 degrees. The structure was solved by direct methods and refined by least-squares calculations to R = 0.048 for 1510 unique observed reflections. There are one intra- and eight inter-molecular hydrogen bonds in the structure. Bond lengths and angles accord well with the mean values of related structures. The galactopyranosyl ring has a chair conformation.
authors.affiliation: Department of Chemistry, University of Jyväskylä, Finland.
authors.forename: J
authors.initials: J
authors.lastname: Kivikoski
authors.forename: I
authors.initials: I
authors.lastname: Pitkänen
authors.forename: J
authors.initials: J
authors.lastname: Valkonen
authors.forename: H
authors.initials: H
authors.lastname: Heikkilä
mesh_terms: D002236:Carbohydrate Conformation; D002240:Carbohydrate Sequence; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008969:Molecular Sequence Data; D012984:Software; D013402:Sugar Alcohols / Q000737:chemistry*; D014961:X-Ray Diffraction
chemical_list: D013402:Sugar Alcohols; C014635:lactitol