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Information card for entry 2005110
Preview
| Coordinates | 2005110.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | p-nitrobenzaldehyde |
|---|---|
| Formula | C7 H5 N O3 |
| Calculated formula | C7 H6 N O4 |
| Title of publication | <i>p</i>-Nitrobenzaldehyde |
| Authors of publication | King, Jnr, J. A.; Bryant, Jnr, G. L. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1691 - 1693 |
| a | 6.209 ± 0.002 Å |
| b | 5.023 ± 0.001 Å |
| c | 10.457 ± 0.003 Å |
| α | 90° |
| β | 95.35 ± 0.03° |
| γ | 90° |
| Cell volume | 324.71 ± 0.16 Å3 |
| Cell temperature | 160.95 K |
| Ambient diffraction temperature | 160.95 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 | 0.0619 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for all reflections | 0.0755 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Goodness-of-fit parameter for significantly intense reflections | 4.39 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.