Information card for entry 4021620

Structure parameters

• Common name: 6-Amino-3-(β-D-2-deoxy-erythrofuranosyl)-2-fluuoropyridine
• Chemical name: (2R,3R,5R)-5-(6-amino-2-fluoropyridin-3-yl)- tetrahydro-2-(hydroxymethyl)furan-3-ol
• Formula: C10 H13 F N2 O3
• Calculated formula: C10 H13 F N2 O3
• SMILES: OC[C@H]1O[C@H](C[C@@H]1O)c1c(F)nc(N)cc1
• Title of publication: Syntheses of Pyridine C-Nucleosides as Analogues of the Natural Nucleosides dC and dU
• Authors of publication: Zhenhua Sun; Shahadat Ahmed; Larry W. McLaughlin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 2922 - 2925
• a: 6.3295 ± 0.0016 Å
• b: 11.365 ± 0.003 Å
• c: 13.908 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1000.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0359
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No