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Information card for entry 2007060
Preview
| Coordinates | 2007060.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 3-Hydroxy-2-ethyl-1-4methylphenyl pyridin-4-one |
|---|---|
| Formula | C14 H15 N O2 |
| Calculated formula | C14 H15 N O2 |
| SMILES | CCc1c(O)c(=O)ccn1c1ccc(cc1)C |
| Title of publication | Three <i>N</i>-Aryl-Substituted 3-hydroxypyridin-4-ones |
| Authors of publication | John Burgess; John Fawcett; David R. Russell; Lu Zaisheng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | 430 - 433 |
| a | 7.305 ± 0.001 Å |
| b | 18.615 ± 0.007 Å |
| c | 18.296 ± 0.002 Å |
| α | 90° |
| β | 99.81 ± 0.02° |
| γ | 90° |
| Cell volume | 2451.6 ± 1 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections | 0.1484 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Goodness-of-fit parameter for all reflections | 1.017 |
| Goodness-of-fit parameter for significantly intense reflections | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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