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Information card for entry 7228829
Preview
| Coordinates | 7228829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H64 N4 O2 Si4 |
|---|---|
| Calculated formula | C52 H64 N4 O2 Si4 |
| 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 | 38.446 ± 0.002 Å |
| b | 5.7728 ± 0.0003 Å |
| c | 26.2153 ± 0.0014 Å |
| α | 90° |
| β | 102.956 ± 0.004° |
| γ | 90° |
| Cell volume | 5670.1 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2812 |
| Residual factor for significantly intense reflections | 0.1495 |
| Weighted residual factors for significantly intense reflections | 0.3593 |
| Weighted residual factors for all reflections included in the refinement | 0.4352 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.207 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7228829.cif |
| 199455 | 2017-08-02 | cif/ Adding structures of 7228828, 7228829, 7228830 via cif-deposit CGI script. |
7228829.cif |
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Users of the data should acknowledge the original authors of the
structural data.