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Information card for entry 8105248
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Coordinates | 8105248.cif |
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Original paper (by DOI) | HTML |
Chemical name | Crystal structure of 7-ethoxyl-6,8-difluoro-4-oxo-1-phenyl-1,4-dihydro- quinoline-3-carboxylic acid |
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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 Å3 |
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 |
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