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Information card for entry 2006455
Preview
| Coordinates | 2006455.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-iodobenzaldehyde |
|---|---|
| Formula | C7 H5 I O |
| Calculated formula | C7 H5 I O |
| SMILES | Ic1ccc(cc1)C=O |
| Title of publication | <i>p</i>-Iodobenzaldehyde |
| Authors of publication | Britton, Doyle; Young Jr, Victor G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 1359 - 1362 |
| a | 6.9122 ± 0.0006 Å |
| b | 13.1517 ± 0.0011 Å |
| c | 7.8098 ± 0.0007 Å |
| α | 90° |
| β | 93.324 ± 0.001° |
| γ | 90° |
| Cell volume | 708.77 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.025 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for all reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.0671 |
| Goodness-of-fit parameter for all reflections | 1.09 |
| Goodness-of-fit parameter for significantly intense reflections | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.