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Information card for entry 1575077
Preview
| Coordinates | 1575077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H30 N2 |
|---|---|
| Calculated formula | C43 H30 N2 |
| Title of publication | Hybridized local and charge-transfer materials using pyrene as π-bridge towards negligible efficiency roll-off in non-doped OLED |
| Authors of publication | Du, Yuqin; Peng, Yali; Dong, Wenjian; Xu, Huixia; Li, Xinyu; Chen, Kang; Wang, Feng; Miao, Yanqin; Tao, Peng; Wang, Hua; Yu, Junsheng |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 7.6245 ± 0.0008 Å |
| b | 11.3457 ± 0.0011 Å |
| c | 18.9104 ± 0.0016 Å |
| α | 98.867 ± 0.007° |
| β | 96.371 ± 0.008° |
| γ | 104.22 ± 0.009° |
| Cell volume | 1547.7 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1451 |
| Residual factor for significantly intense reflections | 0.0693 |
| Weighted residual factors for significantly intense reflections | 0.1559 |
| Weighted residual factors for all reflections included in the refinement | 0.1898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| 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 |
|---|---|---|---|
| 301216 (current) | 2025-07-11 | cif/ Adding structures of 1575077 via cif-deposit CGI script. |
1575077.cif |
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Users of the data should acknowledge the original authors of the
structural data.