Information card for entry 8105248

Structure parameters

• Chemical name: Crystal structure of 7-ethoxyl-6,8-difluoro-4-oxo-1-phenyl-1,4-dihydro- quinoline-3-carboxylic acid
• Formula: C18 H13 F2 N O4
• Calculated formula: C18 H13 F2 N O4
• Title of publication: Crystal structure of 7-ethoxyl-6,8-difluoro-4-oxo-1-phenyl-1,4-dihydro-quinoline-3-carboxylic acid, C18H13F2N1O4
• Authors of publication: Huang, Jian-Xiong; Huang, Cui-Xin; Huang, Guo-Ping; Xiong, Yuan-Zhen; Huang, Jian-Ping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 655 - 657
• a: 7.9002 ± 0.0013 Å
• b: 9.9371 ± 0.0016 Å
• c: 10.6852 ± 0.0017 Å
• α: 101.39 ± 0.002°
• β: 93.169 ± 0.002°
• γ: 104.901 ± 0.002°
• Cell volume: 789.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No