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Information card for entry 1567498
Preview
| Coordinates | 1567498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H46 Cl2 N2 O2 |
|---|---|
| Calculated formula | C45 H46 Cl2 N2 O2 |
| Title of publication | Tandem rigidification and π-extension as a key tool for the development of a narrow linewidth yellow hyperfluorescent OLED system |
| Authors of publication | Bartkowski, Krzysztof; Zimmermann Crocomo, Paola; Kochman, Michał Andrzej; Kumar, Dharmandra; Kubas, Adam; Data, Przemysław; Lindner, Marcin |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 8.6461 ± 0.0002 Å |
| b | 14.5796 ± 0.0003 Å |
| c | 15.3848 ± 0.0003 Å |
| α | 99.024 ± 0.002° |
| β | 95.585 ± 0.002° |
| γ | 104.779 ± 0.002° |
| Cell volume | 1832.74 ± 0.07 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277310 (current) | 2022-08-19 | cif/ Adding structures of 1567498, 1567499, 1567500 via cif-deposit CGI script. |
1567498.cif |
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Users of the data should acknowledge the original authors of the
structural data.