Information card for entry 2226182

Structure parameters

• Common name: 5-Fluoro-1-[(1<i>S</i>,2<i>R</i>)-4-hydroxy-1,2-<i>O</i>- isopropylidenebutyl]uracil
• Chemical name: 5-Fluoro-1-[(4<i>S</i>,5<i>R</i>)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3- dioxolan-4-yl]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione
• Formula: C11 H15 F N2 O5
• Calculated formula: C11 H15 F N2 O5
• SMILES: O=C1N([C@H]2OC(O[C@@H]2CCO)(C)C)C=C(F)C(=O)N1
• Title of publication: 5-Fluoro-1-[(4<i>S</i>,5<i>R</i>)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione
• Authors of publication: Mendoza, Angel; Sosa-Rivadeneyra, Martha; Sartillo-Piscil, Fernando; Quintero, Leticia; Flores-Alamo, Marcos
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1317
• a: 20.8905 ± 0.0008 Å
• b: 5.5751 ± 0.0001 Å
• c: 13.5639 ± 0.0005 Å
• α: 90°
• β: 126.297 ± 0.006°
• γ: 90°
• Cell volume: 1273.21 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes