Information card for entry 4025404

Structure parameters

• Formula: C13 H13 F O4
• Calculated formula: C13 H13 F O4
• SMILES: F[C@@H]1O[C@H]2OC[C@@H]1[C@@H]1O[C@@H](O[C@H]21)c1ccccc1
• Title of publication: Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses
• Authors of publication: Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 3443 - 3446
• a: 6.069 ± 0.0005 Å
• b: 17.099 ± 0.0015 Å
• c: 11.238 ± 0.0005 Å
• α: 90°
• β: 103.155 ± 0.005°
• γ: 90°
• Cell volume: 1135.61 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No