Information card for entry 2017816

Structure parameters

• Common name: 4-deoxy-4-fluoro-β-D-glucopyranose
• Chemical name: 4-Deoxy-4-fluoro-β-D-<i>ribo</i>-hexopyranose
• Formula: C6 H11 F O5
• Calculated formula: C6 H11 F O5
• SMILES: OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1F)O)O
• Title of publication: 4-Deoxy-4-fluoro-β-<small>D</small>-glucopyranose
• Authors of publication: Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o496 - o498
• a: 6.5323 ± 0.0002 Å
• b: 9.2055 ± 0.0003 Å
• c: 12.6007 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 757.72 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0257
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes