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Information card for entry 2311684
Preview
| Coordinates | 2311684.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H35 F2 N5 O12 |
|---|---|
| Calculated formula | C30 H35 F2 N5 O12 |
| SMILES | C1C(C)[NH2+]CCN1c1c(c2c(cc1F)C(=O)C(=CN2CC)C(=O)O)F.c1(cc(ccc1)C(=O)O)C(=O)O.C1(=O)NC([O-])=CC(=O)N1.CO.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 | 10.032 ± 0.004 Å |
| b | 12.123 ± 0.005 Å |
| c | 14.336 ± 0.006 Å |
| α | 86.396 ± 0.012° |
| β | 71.375 ± 0.011° |
| γ | 74.221 ± 0.012° |
| Cell volume | 1589.4 ± 1.1 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 | 0.1993 |
| Residual factor for significantly intense reflections | 0.0882 |
| Weighted residual factors for significantly intense reflections | 0.2162 |
| Weighted residual factors for all reflections included in the refinement | 0.292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| 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. |
2311684.cif |
| 246081 | 2019-12-26 | cif/ Adding structures of 2311682, 2311683, 2311684 via cif-deposit CGI script. |
2311684.cif |
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Users of the data should acknowledge the original authors of the
structural data.