Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233883
Preview
| Coordinates | 7233883.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C49 H33 N3 |
|---|---|
| Calculated formula | C49 H33 N3 |
| SMILES | n1(c2ccccc2c2c1ccc(c2)c1ccccc1c1ccccc1c1ccc(n2c(nc3c2cccc3)c2ccccc2)cc1)c1ccccc1 |
| 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 | 11.8108 ± 0.0002 Å |
| b | 11.8531 ± 0.0002 Å |
| c | 14.4264 ± 0.0002 Å |
| α | 86.6414 ± 0.001° |
| β | 72.896 ± 0.0009° |
| γ | 66.2337 ± 0.0009° |
| Cell volume | 1762.45 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0822 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1139 |
| Weighted residual factors for all reflections included in the refinement | 0.1302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7233883.cif |
| 218340 | 2019-09-17 | cif/ Adding structures of 7233883 via cif-deposit CGI script. |
7233883.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.