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Information card for entry 1559343
Preview
| Coordinates | 1559343.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H16 N2 O |
|---|---|
| Calculated formula | C25 H16 N2 O |
| SMILES | O=C(n1c2c(c3c1cccc3)cccc2)n1c2c(c3c1cccc3)cccc2 |
| Title of publication | Resonance-driven dynamically bipolar organic semiconductors for high-performance optoelectronic applications |
| Authors of publication | Jiang, He; Tao, Ye; Jin, Jibiao; Dai, Yizhong; Xian, Lijie; Wang, Jun; Wang, Shuang; Chen, Runfeng; Zheng, Chao; Huang, Wei |
| Journal of publication | Materials Horizons |
| Year of publication | 2020 |
| Journal volume | 7 |
| Journal issue | 12 |
| Pages of publication | 3298 - 3304 |
| a | 16.125 ± 0.012 Å |
| b | 5.437 ± 0.004 Å |
| c | 22.259 ± 0.017 Å |
| α | 90° |
| β | 110.185 ± 0.015° |
| γ | 90° |
| Cell volume | 1832 ± 2 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 298.95 K |
| Number of distinct elements | 4 |
| 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 | 0.1459 |
| Residual factor for significantly intense reflections | 0.0903 |
| Weighted residual factors for significantly intense reflections | 0.2255 |
| Weighted residual factors for all reflections included in the refinement | 0.2675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1559343.cif |
| 260829 | 2021-01-07 | cif/ Updating files of 1559342, 1559343 Original log message: Adding full bibliography for 1559342--1559343.cif. |
1559343.cif |
| 258327 | 2020-10-13 | cif/ Adding structures of 1559342, 1559343 via cif-deposit CGI script. |
1559343.cif |
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Users of the data should acknowledge the original authors of the
structural data.