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Information card for entry 2243831
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| Coordinates | 2243831.cif |
|---|---|
| Structure factors | 2243831.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dipotassium 3-hydroxy-6-(sulfonatooxy)pyridine-2-carboxylate monohydrate |
|---|---|
| Formula | C6 H5 K2 N O8 S |
| Calculated formula | C6 H5 K2 N O8 S |
| Title of publication | Synthesis and crystal structures of 3,6-dihydroxypicolinic acid and its labile intermediate dipotassium 3-hydroxy-6-(sulfonatooxy)pyridine-2-carboxylate monohydrate |
| Authors of publication | Behrman, Edward J.; Parkin, Sean |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 623 - 628 |
| a | 13.3366 ± 0.0004 Å |
| b | 11.5467 ± 0.0003 Å |
| c | 7.3078 ± 0.0002 Å |
| α | 90° |
| β | 103.553 ± 0.001° |
| γ | 90° |
| Cell volume | 1094.02 ± 0.05 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 6 |
| 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 | 0.0212 |
| Residual factor for significantly intense reflections | 0.0204 |
| Weighted residual factors for significantly intense reflections | 0.0548 |
| Weighted residual factors for all reflections included in the refinement | 0.0555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265246 (current) | 2021-05-15 | cif/ hkl/ Adding structures of 2243831, 2243832 via cif-deposit CGI script. |
2243831.cif 2243831.hkl |
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