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Information card for entry 7215130
Preview
| Coordinates | 7215130.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H24 F N3 O7 |
|---|---|
| Calculated formula | C24 H24 F N3 O7 |
| SMILES | C1CN(CC[NH2+]1)c1c(cc2c(c1)n(cc(c2=O)C(=O)O)CC)F.c1(cccc(c1)C(=O)[O-])C(=O)O |
| Title of publication | Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation |
| Authors of publication | Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 30 |
| Pages of publication | 6090 |
| a | 13.994 ± 0.0017 Å |
| b | 13.6288 ± 0.0018 Å |
| c | 22.537 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4298.3 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1252 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1332 |
| Weighted residual factors for all reflections included in the refinement | 0.1709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215130.cif |
| 180482 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/51. |
7215130.cif |
| 111339 | 2014-04-21 | cif/ Adding structures of 7215129, 7215130, 7215131, 7215132, 7215133 via cif-deposit CGI script. |
7215130.cif |
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Users of the data should acknowledge the original authors of the
structural data.