Information card for entry 7241408

Structure parameters

• Formula: C19 H13 F N2 O8
• Calculated formula: C19 H13 F N2 O8
• Title of publication: A 5-fluorouracil-kaempferol drug-drug cocrystal: ternary phase diagram, characterization and property evaluation
• Authors of publication: Lv, Wen-Ting; Liu, Xiao-Xu; Dai, Xia-Lin; Long, Xiangtian; Chen, Jia-Mei
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.1634 ± 0.0001 Å
• b: 17.9692 ± 0.0003 Å
• c: 13.1115 ± 0.0002 Å
• α: 90°
• β: 101.212 ± 0.002°
• γ: 90°
• Cell volume: 1655.51 ± 0.05 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No