Information card for entry 4503137

Structure parameters

• Common name: 1-deoxylactose
• Formula: C12 H22 O10
• Calculated formula: C12 H22 O10
• SMILES: O1C[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]1CO
• 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: 4.693 ± 0.0001 Å
• b: 19.9373 ± 0.0004 Å
• c: 7.5503 ± 0.0002 Å
• α: 90°
• β: 103.159 ± 0.001°
• γ: 90°
• Cell volume: 687.9 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No