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Information card for entry 1559446
Preview
| Coordinates | 1559446.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,2,4,5-Tetrachlorobenzene |
|---|---|
| Formula | C6 H2 Cl4 |
| Calculated formula | C6 H2 Cl4 |
| SMILES | c1(Cl)c(cc(c(c1)Cl)Cl)Cl |
| Title of publication | The Molecular Structure of 1,2,4,5-Tetrachlorobenzene Determined by Combined Analysis of Electron Diffraction and Liquid Crystal NMR Data, and by X-Ray Crystallography |
| Authors of publication | Anderson, David G.; Blake, Alexander J.; Blom, Richard; Cradock, Stephen; Rankin, David W. H. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1991 |
| Journal volume | 45 |
| Pages of publication | 158 - 164 |
| a | 3.7956 ± 0.0012 Å |
| b | 10.5175 ± 0.0019 Å |
| c | 9.5648 ± 0.0013 Å |
| α | 90° |
| β | 99.723° |
| γ | 90° |
| Cell volume | 376.34 ± 0.15 Å3 |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0567 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.266 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258681 (current) | 2020-11-03 | cif/ Adding structures of 1559446 via cif-deposit CGI script. |
1559446.cif |
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