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Information card for entry 1551715
Preview
| Coordinates | 1551715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H12 I N |
|---|---|
| Calculated formula | C8 H12 I N |
| Title of publication | Crystal Structure of 1,3,5-Trimethylpyridinium iodide |
| Authors of publication | BUTTRUS, Nabel H.; TAQA, Amer A.; RUMADTHAN, Eman M. R.; JOHMOTO, Kohei; UEKUSA, Hidehiro |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2011 |
| Journal volume | 27 |
| Pages of publication | 19 |
| a | 8.985 ± 0.0009 Å |
| b | 15.767 ± 0.0016 Å |
| c | 6.994 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 990.82 ± 0.16 Å3 |
| Cell temperature | 169 ± 2 K |
| Ambient diffraction temperature | 169 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0224 |
| Residual factor for significantly intense reflections | 0.0215 |
| Weighted residual factors for significantly intense reflections | 0.0522 |
| Weighted residual factors for all reflections included in the refinement | 0.0527 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216327 (current) | 2019-06-20 | cif/ Adding structures of 1551715 via cif-deposit CGI script. |
1551715.cif |
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Users of the data should acknowledge the original authors of the
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