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Information card for entry 3500114
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| Coordinates | 3500114.cif |
|---|---|
| Structure factors | 3500114.hkl |
| Common name | 4-Nitrobenzoyl Chloride |
|---|---|
| Chemical name | Benzoyl chloride, 4-nitro- |
| Formula | C7 H4 Cl N O3 |
| Calculated formula | C7 H4 Cl N O3 |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2020 |
| a | 3.7993 ± 0.0005 Å |
| b | 12.8169 ± 0.0018 Å |
| c | 7.9561 ± 0.0012 Å |
| α | 90° |
| β | 101.052 ± 0.007° |
| γ | 90° |
| Cell volume | 380.24 ± 0.09 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0505 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1333 |
| Weighted residual factors for all reflections included in the refinement | 0.1373 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.