Information card for entry 2231959

Structure parameters

• Common name: 2-Deoxy-α-D-glucopyranose
• Chemical name: 2-Deoxy-α-D-<i>arabino</i>-hexopyranose
• Formula: C6 H12 O5
• Calculated formula: C6 H12 O5
• SMILES: O[C@H]1O[C@@H]([C@@H](O)[C@H](O)C1)CO
• Title of publication: 2-Deoxy-α-<small>D</small>-<i>arabino</i>-hexopyranose
• Authors of publication: Hess, David; Klüfers, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2615
• a: 4.8538 ± 0.0002 Å
• b: 9.5323 ± 0.0004 Å
• c: 15.6718 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 725.1 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes