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Information card for entry 2311644
Preview
| Coordinates | 2311644.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | NF adipate |
|---|---|
| Formula | C44 H56 F2 N6 O14 |
| Calculated formula | C44 H56 F2 N6 O14 |
| SMILES | [O-]C(=O)CCCCC(=O)[O-].OC(=O)CCCCC(=O)O.O=C(O)C1=CN(c2c(C1=O)cc(F)c(N1CC[NH2+]CC1)c2)CC.OC(=O)C1C(=O)c2cc(F)c(N3CC[NH2+]CC3)cc2N(C=1)CC |
| 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 | 9.4994 ± 0.0003 Å |
| b | 14.3694 ± 0.0004 Å |
| c | 18.1458 ± 0.0005 Å |
| α | 103.853 ± 0.001° |
| β | 96.528 ± 0.001° |
| γ | 106.946 ± 0.002° |
| Cell volume | 2255.11 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0715 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1127 |
| Weighted residual factors for all reflections included in the refinement | 0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| 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. |
2311644.cif |
| 246069 | 2019-12-26 | cif/ Adding structures of 2311644, 2311645, 2311646, 2311647, 2311648, 2311649, 2311650 via cif-deposit CGI script. |
2311644.cif |
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Users of the data should acknowledge the original authors of the
structural data.