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Information card for entry 2311682
Preview
| Coordinates | 2311682.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Formula | C25 H27 F2 N3 O8 |
|---|---|
| Calculated formula | C25 H27 F2 N3 O8 |
| SMILES | C1(CN(CC[NH2+]1)c1c(c2c(cc1F)C(=O)C(=CN2CC)C(=O)O)F)C.c1(cc(ccc1)C(=O)[O-])C(=O)O.O |
| Title of publication | From a binary salt to salt co-crystals of antibacterial agent lomefloxacin with improved solubility and bioavailability. |
| Authors of publication | Zhang, Zhi-Hui; Zhang, Qi; Zhang, Qing-Qing; Chen, Chen; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Xuan, Xiao-Peng; Huang, Xian-Feng |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | Pt 4 |
| Pages of publication | 437 - 446 |
| a | 8.6341 ± 0.0015 Å |
| b | 10.5326 ± 0.0018 Å |
| c | 14.302 ± 0.002 Å |
| α | 89.016 ± 0.004° |
| β | 73.535 ± 0.004° |
| γ | 82.924 ± 0.004° |
| Cell volume | 1237.6 ± 0.3 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 | 0.1315 |
| Residual factor for significantly intense reflections | 0.0763 |
| Weighted residual factors for significantly intense reflections | 0.2502 |
| Weighted residual factors for all reflections included in the refinement | 0.314 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311682.cif |
| 246081 | 2019-12-26 | cif/ Adding structures of 2311682, 2311683, 2311684 via cif-deposit CGI script. |
2311682.cif |
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Users of the data should acknowledge the original authors of the
structural data.