Information card for entry 2017404

Structure parameters

• Chemical name: 5-fluorocytosine dimethylacetamide hemisolvate
• Formula: C6 H8.5 F N3.5 O1.5
• Calculated formula: C6 H8.5 F N3.5 O1.5
• Title of publication: New pseudopolymorphs of 5-fluorocytosine
• Authors of publication: Tutughamiarso, Maya; Bolte, Michael; Egert, Ernst
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o574 - o578
• a: 7.7247 ± 0.0012 Å
• b: 8.284 ± 0.0013 Å
• c: 13.238 ± 0.002 Å
• α: 90.204 ± 0.013°
• β: 104.336 ± 0.012°
• γ: 107.774 ± 0.012°
• Cell volume: 778.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1218
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1685
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes