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Information card for entry 2206655
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| Coordinates | 2206655.cif |
|---|---|
| Structure factors | 2206655.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3- carboxylic acid |
|---|---|
| Formula | C18 H18 F N3 O4 |
| Calculated formula | C18 H18 F N3 O4 |
| SMILES | Fc1c(N2CCN(C=O)CC2)cc2n(cc(c(=O)c2c1)C(=O)O)C1CC1 |
| Title of publication | 1-Cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. Corrigendum |
| Authors of publication | Xian-Wen Li; Feng Zhi; Jian-Hua Shen; Yi-Qiao Hu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 9 |
| Pages of publication | e3 - e3 |
| a | 8.414 ± 0.002 Å |
| b | 9.513 ± 0.002 Å |
| c | 10.497 ± 0.002 Å |
| α | 102.57 ± 0.03° |
| β | 96.58 ± 0.03° |
| γ | 97.08 ± 0.03° |
| Cell volume | 805.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1092 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.14 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.