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Information card for entry 7233884
Preview
| Coordinates | 7233884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C49.5 H34 Cl N3 |
|---|---|
| Calculated formula | C49.5 H34 Cl N3 |
| Title of publication | Highly twisted biphenyl-linked carbazole-benzimidazole hybrid bipolar host materials for efficient PhOLEDs |
| Authors of publication | Shuo-Hsien Cheng; Wen-Yi Hung; Ming-Hung Cheng; Hsiao-Fan Chen; Atul Chaskar; Gene-Hsiang Lee; Shu-Hua Chou; Ken-Tsung Wong |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 8554 - 8563 |
| a | 10.7471 ± 0.0007 Å |
| b | 13.3671 ± 0.0009 Å |
| c | 13.5963 ± 0.0008 Å |
| α | 79.376 ± 0.002° |
| β | 88.39 ± 0.002° |
| γ | 70.557 ± 0.002° |
| Cell volume | 1809.1 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0973 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for significantly intense reflections | 0.1319 |
| Weighted residual factors for all reflections included in the refinement | 0.1458 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7233884.cif |
| 218341 | 2019-09-17 | cif/ Adding structures of 7233884 via cif-deposit CGI script. |
7233884.cif |
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Users of the data should acknowledge the original authors of the
structural data.