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Information card for entry 1544293
Preview
| Coordinates | 1544293.cif |
|---|---|
| Structure factors | 1544293.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2,4-Dimethylpyrido[1,2-<i>a</i>]pyrimidin-5-ium perchlorate |
|---|---|
| Formula | C10 H11 Cl N2 O4 |
| Calculated formula | C10 H11 Cl N2 O4 |
| Title of publication | 2,4-Dimethylpyrido[1,2-<i>a</i>]pyrimidin-5-ium perchlorate |
| Authors of publication | Posel, Maciej; Stoeckli-Evans, Helen |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 10 |
| Pages of publication | x161543 |
| a | 12.5178 ± 0.0011 Å |
| b | 7.8321 ± 0.0009 Å |
| c | 12.6354 ± 0.0015 Å |
| α | 90° |
| β | 107.763 ± 0.008° |
| γ | 90° |
| Cell volume | 1179.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.1173 |
| Residual factor for significantly intense reflections | 0.0716 |
| Weighted residual factors for significantly intense reflections | 0.1382 |
| Weighted residual factors for all reflections included in the refinement | 0.1676 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187349 (current) | 2016-10-15 | cif/ hkl/ Adding structures of 1544293 via cif-deposit CGI script. |
1544293.cif 1544293.hkl |
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