Information card for entry 2016211

Structure parameters

• Common name: 3-deoxy-β-D-glucopyranose
• Chemical name: 3-deoxy-β-D-ribo-hexopyranose
• Formula: C6 H12 O5
• Calculated formula: C6 H12 O5
• SMILES: O[C@@H]1O[C@@H]([C@@H](O)C[C@H]1O)CO
• Title of publication: 3-Deoxy-β-<small>D</small>-<i>ribo</i>-hexopyranose (3-deoxy-β-<small>D</small>-glucopyranose)
• Authors of publication: Zhang, Wenhui; Noll, Bruce C.; Serianni, Anthony S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o578 - o581
• a: 7.4534 ± 0.0007 Å
• b: 9.0663 ± 0.0008 Å
• c: 10.6966 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 722.82 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0259
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes