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Information card for entry 2311649
Preview
| Coordinates | 2311649.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | NF o-OH-benzoate |
|---|---|
| Formula | C23 H26 F N3 O7 |
| Calculated formula | C23 H26 F N3 O7 |
| SMILES | Fc1c(N2CC[NH2+]CC2)cc2N(C=C(C(=O)O)C(=O)c2c1)CC.O.Oc1c(cccc1)C(=O)[O-] |
| Title of publication | Supramolecular structures and physicochemical properties of norfloxacin salts. |
| Authors of publication | Xu, Yun; Jiang, Linglei; Mei, Xuefeng |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | Pt 4 |
| Pages of publication | 750 - 760 |
| a | 7.0237 ± 0.0004 Å |
| b | 9.9645 ± 0.0005 Å |
| c | 17.4655 ± 0.0009 Å |
| α | 91.1 ± 0.003° |
| β | 97.543 ± 0.003° |
| γ | 109.906 ± 0.003° |
| Cell volume | 1136.71 ± 0.11 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 | 0.0909 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| 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. |
2311649.cif |
| 246069 | 2019-12-26 | cif/ Adding structures of 2311644, 2311645, 2311646, 2311647, 2311648, 2311649, 2311650 via cif-deposit CGI script. |
2311649.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.