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Information card for entry 1558010
Preview
| Coordinates | 1558010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H20 |
|---|---|
| Calculated formula | C31 H20 |
| SMILES | C12(c3ccc(cc3c3ccccc13)c1ccccc1)c1ccccc1c1ccccc21 |
| Title of publication | Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes |
| Authors of publication | Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 19 |
| Pages of publication | 4887 - 4894 |
| a | 13.3029 ± 0.0016 Å |
| b | 9.8247 ± 0.001 Å |
| c | 16.8935 ± 0.0019 Å |
| α | 90° |
| β | 110.005 ± 0.004° |
| γ | 90° |
| Cell volume | 2074.7 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0811 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.1149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257327 (current) | 2020-10-06 | cif/ Updating files of 1558010, 1558011, 1558012 Original log message: Adding full bibliography for 1558010--1558012.cif. |
1558010.cif |
| 252729 | 2020-06-05 | cif/ Updating files of 1558010, 1558011, 1558012 Original log message: Adding full bibliography for 1558010--1558012.cif. |
1558010.cif |
| 251787 | 2020-05-06 | cif/ Adding structures of 1558010, 1558011, 1558012 via cif-deposit CGI script. |
1558010.cif |
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Users of the data should acknowledge the original authors of the
structural data.