Information card for entry 7240384

Structure parameters

• Formula: C11 H13 F N2 O8
• Calculated formula: C11 H13 F N2 O8
• Title of publication: Modulating the solubility and pharmacokinetic property of 5-fluorouracil via cocrystals
• Authors of publication: Dai, Xia-Lin; Wu, Chao; Li, Jin-Hui; Liu, Lian-Chao; He, Xin; Lu, Tong-Bu; Chen, Jia-Mei
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.2314 ± 0.0004 Å
• b: 9.9761 ± 0.0006 Å
• c: 10.2732 ± 0.0005 Å
• α: 103.754 ± 0.005°
• β: 102.275 ± 0.005°
• γ: 108.186 ± 0.005°
• Cell volume: 650.04 ± 0.07 ų
• Cell temperature: 150 ± 10 K
• Ambient diffraction temperature: 150 ± 10 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: 0.0484
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No