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Information card for entry 1545306
Preview
| Coordinates | 1545306.cif |
|---|---|
| Structure factors | 1545306.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,4-Dimethylpyridinium iodide |
|---|---|
| Formula | C7 H10 I N |
| Calculated formula | C7 H10 I N |
| SMILES | [n+]1(ccc(cc1)C)C.[I-] |
| Title of publication | 1,4-Dimethylpyridinium iodide |
| Authors of publication | Deschner, Joshua; Choczynski, Jack M.; Wong, Calvin Y.; Hayes, Kathleen L.; Crisci, Ralph R.; Lasher, Emily M.; Dragonette, Joseph; Cardenas, Allan Jay P. |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 2 |
| Pages of publication | x170269 |
| a | 13.8301 ± 0.0006 Å |
| b | 19.717 ± 0.0009 Å |
| c | 10.2121 ± 0.0005 Å |
| α | 90° |
| β | 109.642 ± 0.001° |
| γ | 90° |
| Cell volume | 2622.7 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 149.99 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 | 0.0244 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0461 |
| Weighted residual factors for all reflections included in the refinement | 0.0476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192433 (current) | 2017-02-22 | cif/ hkl/ Adding structures of 1545306 via cif-deposit CGI script. |
1545306.cif 1545306.hkl |
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Users of the data should acknowledge the original authors of the
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