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Information card for entry 2203682
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| Coordinates | 2203682.cif |
|---|---|
| Structure factors | 2203682.hkl |
| Original IUCr paper | HTML |
| Formula | C12 H9 Cl F N O3 |
|---|---|
| Calculated formula | C12 H9 Cl F N O3 |
| SMILES | Clc1cc2n(cc(c(=O)c2cc1F)C(=O)O)CC |
| Title of publication | 7-Chloro-1-ethyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid |
| Authors of publication | Song, Jian; Xue, Fu-Hua; Lou, Ke-Xia |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 5 |
| Pages of publication | o824 - o825 |
| a | 7.145 ± 0.003 Å |
| b | 8.915 ± 0.004 Å |
| c | 9.375 ± 0.004 Å |
| α | 71.896 ± 0.006° |
| β | 80.025 ± 0.007° |
| γ | 85.109 ± 0.007° |
| Cell volume | 558.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0531 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for all reflections included in the refinement | 0.1043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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