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Information card for entry 2021771
Preview
| Coordinates | 2021771.cif |
|---|---|
| Structure factors | 2021771.hkl |
| Original paper (by DOI) | HTML |
| Formula | C13 H16 N Na O5 |
|---|---|
| Calculated formula | C13 H16 N Na O5 |
| SMILES | C(=O)([O-])c1ccccc1Nc1ccccc1.[Na+].O.O.O |
| Title of publication | The Na—O bond in sodium fenamate |
| Authors of publication | Krawczyk, Marta S.; Majerz, Irena |
| Journal of publication | Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 5 |
| a | 6.059 ± 0.003 Å |
| b | 37.243 ± 0.007 Å |
| c | 6.577 ± 0.003 Å |
| α | 90 ± 0.03° |
| β | 105.12 ± 0.03° |
| γ | 90 ± 0.03° |
| Cell volume | 1432.8 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0689 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.1779 |
| Weighted residual factors for all reflections included in the refinement | 0.1814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218154 (current) | 2019-09-11 | cif/ hkl/ Adding structures of 2021771 via cif-deposit CGI script. |
2021771.cif 2021771.hkl |
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