Information card for entry 4503138

Structure parameters

• Common name: alpha/beta lactose
• Formula: C12 H22 O11
• Calculated formula: C12 H22 O11
• SMILES: [C@@H]1(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)[C@H](O1)CO.[C@H]1(O)[C@H](O)[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)[C@H](O1)CO
• Title of publication: Effect of 1-Deoxy-d-lactose upon the Crystallization ofd-Lactose
• Authors of publication: Guiry, Kevin P.; Coles, Simon J.; Moynihan, Humphrey A.; Lawrence, Simon E.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 3927
• a: 5.03 ± 0.003 Å
• b: 7.593 ± 0.005 Å
• c: 19.374 ± 0.012 Å
• α: 81.026 ± 0.01°
• β: 85.044 ± 0.009°
• γ: 74.247 ± 0.009°
• Cell volume: 702.7 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2036
• Weighted residual factors for all reflections included in the refinement: 0.2067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.6911 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No