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Information card for entry 7057617
Preview
| Coordinates | 7057617.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | BPhCz |
|---|---|
| Chemical name | 9, 9'-diphenyl-9H, 9'H-3, 3'-bicarbazole |
| Formula | C36 H24 N2 |
| Calculated formula | C36 H24 N2 |
| Title of publication | Eaton's reagent assisted aromatic C–C coupling of carbazoles for optoelectronic applications |
| Authors of publication | Yuan, Jie; Jin, Lu; Chen, Runfeng; Tang, Xingxing; Xie, Xiang; Tang, Yuting; Huang, Wei |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 18 |
| Pages of publication | 14704 |
| a | 9.4067 ± 0.0011 Å |
| b | 9.615 ± 0.0011 Å |
| c | 14.1821 ± 0.0016 Å |
| α | 90° |
| β | 104.252 ± 0.003° |
| γ | 90° |
| Cell volume | 1243.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0589 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.1213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7057617.cif |
| 230484 | 2019-11-17 | cif/ Updating files of 7057617 Original log message: Adding full bibliography for 7057617.cif. |
7057617.cif |
| 209387 | 2018-08-04 | cif/ Adding structures of 7057617 via cif-deposit CGI script. |
7057617.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.