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Information card for entry 7233934
Preview
| Coordinates | 7233934.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H31 N3 |
|---|---|
| Calculated formula | C44 H31 N3 |
| SMILES | N1(c2c3ccccc3c3ccccc3c2N(c2c1cccc2)c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1 |
| Title of publication | Novel hole transport materials based on N,N'-disubstituted-dihydrophenazine derivatives for electroluminescent diodes |
| Authors of publication | Zhiwen Zheng; Qingchen Dong; Liao Gou; Jian-Hua Su; Jinhai Huang |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 9858 - 9865 |
| a | 9.5653 ± 0.0013 Å |
| b | 11.8383 ± 0.0016 Å |
| c | 14.678 ± 0.002 Å |
| α | 102.839 ± 0.003° |
| β | 96.717 ± 0.003° |
| γ | 102.722 ± 0.003° |
| Cell volume | 1556.5 ± 0.4 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.1262 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
| 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. |
7233934.cif |
| 218425 | 2019-09-18 | cif/ Adding structures of 7233934 via cif-deposit CGI script. |
7233934.cif |
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Users of the data should acknowledge the original authors of the
structural data.