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Information card for entry 7057372
Preview
| Coordinates | 7057372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2PPI-TPE |
|---|---|
| Formula | C68 H44 N4 |
| Calculated formula | C68 H44 N4 |
| Title of publication | Novel phenanthroimidazole-based blue AIEgens: reversible mechanochromism, bipolar transporting properties, and electroluminescence |
| Authors of publication | Wang, Zhong-Yi; Zhao, Jue-Wen; Li, Peng; Feng, Tong; Wang, Wen-Jian; Tao, Si-Lu; Tong, Qing-Xiao |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 11 |
| Pages of publication | 8924 |
| a | 9.53878 ± 0.00016 Å |
| b | 16.807 ± 0.0003 Å |
| c | 18.0235 ± 0.0003 Å |
| α | 103.584 ± 0.0014° |
| β | 104.834 ± 0.0014° |
| γ | 91.8775 ± 0.0014° |
| Cell volume | 2701.76 ± 0.08 Å3 |
| Cell temperature | 300 ± 0.1 K |
| Ambient diffraction temperature | 300 ± 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 | 0.0485 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7057372.cif |
| 230543 | 2019-11-17 | cif/ Updating files of 7057372 Original log message: Adding full bibliography for 7057372.cif. |
7057372.cif |
| 207525 | 2018-04-30 | cif/ Adding structures of 7057372 via cif-deposit CGI script. |
7057372.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.