Information card for entry 8105345

Structure parameters

• Common name: 1-(4-chloro-phenyl)-7-ethoxy-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3- carboxylic acid
• Formula: C18 H12 Cl F2 N O4
• Calculated formula: C18 H12 Cl F2 N O4
• Title of publication: Crystal structure of 1-(4-chloro-phenyl)-7-ethoxyl-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, C18H12ClF2NO4
• Authors of publication: Zou, Liu-Hong; Nie, Xu-Liang; Zhao, Lei; Huang, Guo-Ping; Huang, Jian-Ping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 4
• Pages of publication: 967 - 969
• a: 13.544 ± 0.005 Å
• b: 9.344 ± 0.003 Å
• c: 13.545 ± 0.005 Å
• α: 90°
• β: 109.86°
• γ: 90°
• Cell volume: 1612.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No