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Information card for entry 7238021
Preview
| Coordinates | 7238021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H36 N2 O2 S |
|---|---|
| Calculated formula | C42 H36 N2 O2 S |
| Title of publication | Fine-tuning the photophysical properties of thermally activated delayed fluorescent emitters using torsion angles: high performance sky-blue OLEDs |
| Authors of publication | Zhan, Lisi; Xiang, Yepeng; Chen, Zhanxiang; Wu, Kailong; Gong, Shaolong; Xie, Guohua; Yang, Chuluo |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 44 |
| Pages of publication | 13953 |
| a | 12.9444 ± 0.0006 Å |
| b | 12.9605 ± 0.0006 Å |
| c | 20.6567 ± 0.001 Å |
| α | 88.355 ± 0.004° |
| β | 89.92 ± 0.004° |
| γ | 86.34 ± 0.004° |
| Cell volume | 3457 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0525 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.113 |
| Weighted residual factors for all reflections included in the refinement | 0.1194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238021.cif |
| 238843 | 2019-11-24 | cif/ Adding structures of 7238021 via cif-deposit CGI script. |
7238021.cif |
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Users of the data should acknowledge the original authors of the
structural data.