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Information card for entry 3500111
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| Coordinates | 3500111.cif |
|---|---|
| Structure factors | 3500111.hkl |
| Common name | 3-Pyridinol, 2-Nitro- |
|---|---|
| Chemical name | 3-Pyridinol, 2-Nitro- |
| Formula | C5 H4 N2 O3 |
| Calculated formula | C5 H4 N2 O3 |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2020 |
| a | 12.5532 ± 0.0005 Å |
| b | 7.4371 ± 0.0003 Å |
| c | 11.9865 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1119.05 ± 0.08 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1237 |
| Weighted residual factors for all reflections included in the refinement | 0.1257 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252130 (current) | 2020-05-18 | cif/ hkl/ Adding structures of 3500111 via cif-deposit CGI script. |
3500111.cif 3500111.hkl |
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Users of the data should acknowledge the original authors of the
structural data.