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Information card for entry 1563167
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| Coordinates | 1563167.cif |
|---|---|
| Structure factors | 1563167.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 4-oxo-1,4-dihydropyridine-3-carboxylate |
|---|---|
| Formula | C8 H9 N O3 |
| Calculated formula | C8 H9 N O3 |
| SMILES | O=C1C(=CNC=C1)C(=O)OCC |
| Title of publication | Ethyl 4-oxo-1,4-dihydropyridine-3-carboxylate |
| Authors of publication | Gao, Jun; Long, Sihui |
| Journal of publication | IUCrData |
| Year of publication | 2021 |
| Journal volume | 6 |
| Journal issue | 6 |
| Pages of publication | x210555 |
| a | 6.4973 ± 0.0002 Å |
| b | 11.5323 ± 0.0005 Å |
| c | 11.2908 ± 0.0005 Å |
| α | 90° |
| β | 91.5 ± 0.004° |
| γ | 90° |
| Cell volume | 845.72 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0512 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1249 |
| Weighted residual factors for all reflections included in the refinement | 0.1292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300370 (current) | 2025-07-05 | Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
1563167.cif 1563167.hkl |
| 265828 | 2021-06-05 | cif/ hkl/ Adding structures of 1563167 via cif-deposit CGI script. |
1563167.cif 1563167.hkl |
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Users of the data should acknowledge the original authors of the
structural data.