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Information card for entry 2241611
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| Coordinates | 2241611.cif |
|---|---|
| Structure factors | 2241611.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-4,6-dimethoxypyrimidin-1-ium 4-aminobenzoate |
|---|---|
| Formula | C13 H16 N4 O4 |
| Calculated formula | C13 H16 N4 O4 |
| Title of publication | A redetermination from the original data of the crystal structure of 2-amino-4,6-dimethoxypyrimidin-1-ium 4-aminobenzoate |
| Authors of publication | Fábry, Jan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 512 - 515 |
| a | 6.6358 ± 0.0004 Å |
| b | 7.556 ± 0.0005 Å |
| c | 27.4226 ± 0.0016 Å |
| α | 90° |
| β | 94.418 ± 0.002° |
| γ | 90° |
| Cell volume | 1370.89 ± 0.15 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| 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 | 0.0581 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.91 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181917 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16. |
2241611.cif 2241611.hkl |
| 178344 | 2016-03-19 | cif/ hkl/ Adding structures of 2241611 via cif-deposit CGI script. |
2241611.cif 2241611.hkl |
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Users of the data should acknowledge the original authors of the
structural data.