Information card for entry 2208094

Structure parameters

• Chemical name: 5-Fluorouracil-1-propionic acid
• Formula: C7 H7 F N2 O4
• Calculated formula: C7 H7 F N2 O4
• Title of publication: 5-Fluorouracil-1-propionic acid
• Authors of publication: Qu, Jian-Qiang; Jia, Xiao-Fei; Cui, Jian-Zhong; Zhang, Hong; Wang, Liu-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o586 - o588
• a: 20.279 ± 0.006 Å
• b: 8.137 ± 0.002 Å
• c: 13.222 ± 0.004 Å
• α: 90°
• β: 128.673 ± 0.004°
• γ: 90°
• Cell volume: 1703.4 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes