Information card for entry 2007789

Structure parameters

• Formula: C13 H11 N O3
• Calculated formula: C13 H11 N O3
• SMILES: N1C2=C(C(=O)OC2)C(CC1=O)c1ccccc1
• Title of publication: 5-Oxo-4-phenyl-1,2,3,4,5,7-hexahydrofuro[3,4-<i>b</i>]-2(1<i>H</i>)-pyridone
• Authors of publication: Duque Rodríguez, Julio; Pomés Hernández, Ramón; Punte, Graciela; Hechevarría, Gustavo; Suárez Navarro, Margarita; Verdecia Reyes, Yamila; Ochoa Rodríguez, Estael; Pita Mieres, Beatriz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1642 - 1644
• a: 11.297 ± 0.001 Å
• b: 6.949 ± 0.001 Å
• c: 13.732 ± 0.002 Å
• α: 90°
• β: 91.95 ± 0.01°
• γ: 90°
• Cell volume: 1077.4 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.259
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.182
• Weighted residual factors for significantly intense reflections: 0.088
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.162
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No