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Information card for entry 1558573
Preview
| Coordinates | 1558573.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,2,4,5,7,8-Hexachloronaphthalene |
|---|---|
| Formula | C10 H2 Cl6 |
| Calculated formula | C10 Cl6 |
| SMILES | Clc1cc(Cl)c(Cl)c2c(Cl)c(Cl)cc(Cl)c12 |
| Title of publication | Synthesis and Crystallography of Two Hexachloronaphthalenes. Part II. 1,2,4,5,6,8-Hexachloronaphthalene and 1,2,4,5,7,8-Hexachloronaphthalene |
| Authors of publication | Jakobsson, Eva; Lonnberg, Cecilia; Eriksson, Lars |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1994 |
| Journal volume | 48 |
| Pages of publication | 891 - 898 |
| a | 18.553 ± 0.013 Å |
| b | 3.882 ± 0.002 Å |
| c | 31.55 ± 0.02 Å |
| α | 90° |
| β | 94.74 ± 0.05° |
| γ | 90° |
| Cell volume | 2265 ± 2 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1273 |
| Residual factor for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.2426 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.435 |
| 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 |
|---|---|---|---|
| 254227 (current) | 2020-07-13 | cif/ Adding structures of 1558573 via cif-deposit CGI script. |
1558573.cif |
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Users of the data should acknowledge the original authors of the
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