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Information card for entry 2242790
Preview
| Coordinates | 2242790.cif |
|---|---|
| Structure factors | 2242790.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>RS</i>)-4-(3-Carboxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 3-carboxy-5-fluorobenzoate |
|---|---|
| Formula | C25 H24 F3 N3 O7 |
| Calculated formula | C25 H24 F3 N3 O7 |
| Title of publication | Crystal structure of (<i>RS</i>)-4-(3-carboxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 3-carboxy-5-fluorobenzoate |
| Authors of publication | Feng, Sheng; Zhu, Gui-Liang; Sun, Jia-Jia; Chen, Chen; Zhang, Zhi-Hui |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 1 |
| Pages of publication | 68 - 70 |
| a | 10.4324 ± 0.0012 Å |
| b | 16.5656 ± 0.0019 Å |
| c | 14.0448 ± 0.0017 Å |
| α | 90° |
| β | 100.707 ± 0.003° |
| γ | 90° |
| Cell volume | 2385 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0831 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1417 |
| Weighted residual factors for all reflections included in the refinement | 0.1612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212639 (current) | 2018-12-18 | cif/ hkl/ Adding structures of 2242790 via cif-deposit CGI script. |
2242790.cif 2242790.hkl |
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Users of the data should acknowledge the original authors of the
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