Information card for entry 7058827

Structure parameters

• Common name: 2FCPA, Fluorocytosine, 5-FC, 5-Fluorocytosine
• Chemical name: 5-Fluorocytosine 5-Fluorocytosinium Picrate
• Formula: C14 H11 F2 N9 O9
• Calculated formula: C14 H11 F2 N9 O9
• Title of publication: Supramolecular synthesis and characterization of crystalline solids obtained from the reaction of 5-fluorocytosine with nitro compounds
• Authors of publication: Souza, Matheus S.; Diniz, Luan F.; Alvarez, Natalia; da Silva, Cecília C. P.; Ellena, Javier
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 40
• Pages of publication: 15924
• a: 8.438 ± 0.0002 Å
• b: 10.627 ± 0.0003 Å
• c: 11.21 ± 0.0003 Å
• α: 76.372 ± 0.001°
• β: 87.981 ± 0.002°
• γ: 73.18 ± 0.002°
• Cell volume: 934.53 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No