Information card for entry 4025407

Structure parameters

• Formula: C6 H8 F N O2
• Calculated formula: C6 H8 F N O2
• SMILES: F[C@H]1[C@@H]2N[C@@H]2[C@H]2O[C@@H]1CO2
• 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: 6.8713 ± 0.0002 Å
• b: 9.1449 ± 0.0003 Å
• c: 9.5056 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 597.31 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.028
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for all reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0263
• Weighted residual factors for all reflections included in the refinement: 0.0263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0715
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No