Information card for entry 4025408

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: 6.5963 ± 0.0002 Å
• b: 6.5963 ± 0.0002 Å
• c: 13.975 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 608.07 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for all reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0257
• Weighted residual factors for all reflections included in the refinement: 0.0257
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9295
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No