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Information card for entry 3500106
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| Coordinates | 3500106.cif |
|---|---|
| Structure factors | 3500106.hkl |
| Common name | 4-chloro-2,6-dimethoxypyrimidine |
|---|---|
| Chemical name | 4-chloro-2,6-dimethoxypyrimidine |
| Formula | C6 H7 Cl N2 O2 |
| Calculated formula | C6 H7 Cl N2 O2 |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2020 |
| a | 13.214 ± 0.0006 Å |
| b | 6.5266 ± 0.0003 Å |
| c | 8.6159 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 743.06 ± 0.06 Å3 |
| Cell temperature | 105 K |
| Ambient diffraction temperature | 105 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0268 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0713 |
| Weighted residual factors for all reflections included in the refinement | 0.072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
| 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 |
|---|---|---|---|
| 251907 (current) | 2020-05-08 | cif/ hkl/ Adding structures of 3500106 via cif-deposit CGI script. |
3500106.cif 3500106.hkl |
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