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Information card for entry 2022938
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| Coordinates | 2022938.cif |
|---|---|
| Structure factors | 2022938.hkl |
| Original IUCr paper | HTML |
| Common name | Pyridine-2,6-diol |
|---|---|
| Chemical name | 6-Hydroxy-1,2-dihydropyridin-2-one |
| Formula | C30 H30 N6 O12 |
| Calculated formula | C30 H30 N6 O12 |
| Title of publication | Synthesis and crystallographic characterization of 6-hydroxy-1,2-dihydropyridin-2-one |
| Authors of publication | Phillips, Sara K.; Brancato, Savannah G.; MacMillan, Samantha N.; Snider, Mark J.; Roering, Andrew J.; Hicks, Katherine A. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 12 |
| Pages of publication | 1147 - 1150 |
| a | 9.58785 ± 0.00004 Å |
| b | 16.83642 ± 0.00008 Å |
| c | 19.55978 ± 0.0001 Å |
| α | 90° |
| β | 103.732 ± 0.0005° |
| γ | 90° |
| Cell volume | 3067.19 ± 0.03 Å3 |
| Cell temperature | 99.9 ± 0.6 K |
| Ambient diffraction temperature | 99.9 ± 0.6 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.0828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288935 (current) | 2024-01-07 | cif/ Updating files of 2022938 Original log message: Adding full bibliography for 2022938.cif. |
2022938.cif 2022938.hkl |
| 287605 | 2023-11-15 | cif/ hkl/ Adding structures of 2022938 via cif-deposit CGI script. |
2022938.cif 2022938.hkl |
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Users of the data should acknowledge the original authors of the
structural data.