Information card for entry 4508163

Structure parameters

• Common name: oxalate of 5-FC
• Formula: C5 H5 F N3 O3
• Calculated formula: C5 H5 F N3 O3
• Title of publication: The Continuum in 5-Fluorocytosine. Toward Salt Formation
• Authors of publication: da Silva, Cecília C. P.; de Oliveira, Rebeka; Tenorio, Juan C.; Honorato, Sara B.; Ayala, Alejandro P.; Ellena, Javier
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 4315
• a: 5.261 ± 0.0002 Å
• b: 15.197 ± 0.0006 Å
• c: 7.884 ± 0.0003 Å
• α: 90°
• β: 92.206 ± 0.003°
• γ: 90°
• Cell volume: 629.87 ± 0.04 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0648
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No