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Information card for entry 1559223
Preview
| Coordinates | 1559223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 1,2,3,5,6,7-Hexachloronaphthalene |
|---|---|
| Formula | C10 H2 Cl6 |
| Calculated formula | C10 H2 Cl6 |
| SMILES | c1(c(Cl)c(cc2c1cc(c(c2Cl)Cl)Cl)Cl)Cl |
| Title of publication | Synthesis and Crystallography of 1,2,3,4,6,7-Hexachloronaphthalene and 1,2,3,5,6,7-Hexachloronaphthalene |
| Authors of publication | Jakobsson, Eva; Eriksson, Lars; Bergman, Ake |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1992 |
| Journal volume | 46 |
| Pages of publication | 527 - 532 |
| a | 9.381 ± 0.004 Å |
| b | 3.807 ± 0.002 Å |
| c | 16.168 ± 0.008 Å |
| α | 90° |
| β | 102.4 ± 0.04° |
| γ | 90° |
| Cell volume | 563.9 ± 0.5 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1559223.cif |
| 256857 | 2020-09-30 | cif/ Adding structures of 1559223 via cif-deposit CGI script. |
1559223.cif |
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Users of the data should acknowledge the original authors of the
structural data.