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Information card for entry 7228828
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| Coordinates | 7228828.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H14 Cl2 N2 |
|---|---|
| Calculated formula | C20 H14 Cl2 N2 |
| Title of publication | Rendering cross-conjugated azophenine derivatives emissive to probe the silent photophysical properties of emeraldine |
| Authors of publication | Lei, Hu; Langlois, Adam; Fortin, Daniel; Karsenti, Paul-Ludovic; Aly, Shawkat M.; Harvey, Pierre D. |
| Journal of publication | Phys. Chem. Chem. Phys. |
| Year of publication | 2017 |
| a | 14.2044 ± 0.0005 Å |
| b | 6.0526 ± 0.0003 Å |
| c | 20.781 ± 0.0008 Å |
| α | 90° |
| β | 106.451 ± 0.002° |
| γ | 90° |
| Cell volume | 1713.48 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1402 |
| Residual factor for significantly intense reflections | 0.0927 |
| Weighted residual factors for significantly intense reflections | 0.2664 |
| Weighted residual factors for all reflections included in the refinement | 0.3147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199455 (current) | 2017-08-02 | cif/ Adding structures of 7228828, 7228829, 7228830 via cif-deposit CGI script. |
7228828.cif |
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Users of the data should acknowledge the original authors of the
structural data.