Information card for entry 2300456

Structure parameters

• Common name: Lactose monohydrate
• Chemical name: /b-D-galactopyranosyl-(1,4)-D-glucose monhydrate
• Formula: C12 H24 O12
• Calculated formula: C12 H24 O12
• SMILES: C([C@H]1O[C@@H](O[C@H]2[C@@H]([C@H]([C@@H](O)O[C@@H]2CO)O)O)[C@@H]([C@H]([C@H]1O)O)O)O.O
• Title of publication: Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods
• Authors of publication: Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 659 - 667
• a: 7.77208 ± 0.00038 Å
• b: 21.58192 ± 0.00017 Å
• c: 4.8172 ± 0.00031 Å
• α: 90°
• β: 74.0609 ± 0.0012°
• γ: 90°
• Cell volume: 776.95 ± 0.06 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor R(I) for significantly intense reflections: 0.105
• Goodness-of-fit parameter for all reflections: 24
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes