Information card for entry 2206486

Structure parameters

• Common name: α-lactose monohydrate
• Chemical name: α-4-O-(β-D-galactopyranosido)-D-glucopyranose
• Formula: C12 H24 O12
• Calculated formula: C12 H24 O12
• SMILES: O([C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O1)[C@H]1[C@@H]([C@H]([C@@H](O)O[C@@H]1CO)O)O.O
• Title of publication: α-Lactose monohydrate: a redetermination at 150 K
• Authors of publication: Smith, Joanne H.; Dann, Sandra E.; Elsegood, Mark R. J.; Dale, Sophie H.; Blatchford, Chris. G
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2499 - o2501
• a: 4.783 ± 0.0005 Å
• b: 21.54 ± 0.002 Å
• c: 7.7599 ± 0.0008 Å
• α: 90°
• β: 105.911 ± 0.002°
• γ: 90°
• Cell volume: 768.84 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes