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Information card for entry 1520209
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| Coordinates | 1520209.cif |
|---|
| Chemical name | Succinic acid & 1,2-dimethylimidazole |
|---|---|
| Formula | C9 H14 N2 O4 |
| Calculated formula | C9 H14 N2 O4 |
| SMILES | C(=O)(CCC(=O)[O-])O.c1(C)n(cc[nH+]1)C |
| Title of publication | 1,2-Dimethylimidazolium succinate |
| Authors of publication | Callear, Samantha K.; Hursthouse, Michael B. |
| Journal of publication | Crystal Structure Report Archive |
| Year of publication | 2008 |
| Pages of publication | 461 |
| a | 20.5769 ± 0.0012 Å |
| b | 7.3521 ± 0.0004 Å |
| c | 14.0383 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2123.8 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.1161 |
| Residual factor for significantly intense reflections | 0.0685 |
| Weighted residual factors for significantly intense reflections | 0.1383 |
| Weighted residual factors for all reflections included in the refinement | 0.1561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1520209.html
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structural data.