Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4035721
Preview
| Coordinates | 4035721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H22 N2 |
|---|---|
| Calculated formula | C26 H22 N2 |
| SMILES | c12c(cccc1)N(c1c(cccc1)N2c1ccc(cc1)C)c1ccc(cc1)C |
| Title of publication | Aerobic Oxidative Homo- and Cross-Coupling of Amines Catalyzed by Phenazine Radical Cations. |
| Authors of publication | Brišar, Rok; Unglaube, Felix; Hollmann, Dirk; Jiao, Haijun; Mejía, Esteban |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2018 |
| Journal volume | 83 |
| Journal issue | 21 |
| Pages of publication | 13481 - 13490 |
| a | 14.1476 ± 0.0004 Å |
| b | 8.5323 ± 0.0003 Å |
| c | 16.5469 ± 0.0005 Å |
| α | 90° |
| β | 105.099 ± 0.0011° |
| γ | 90° |
| Cell volume | 1928.45 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0509 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1324 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227169 (current) | 2019-11-11 | cif/ Adding structures of 4035721 via cif-deposit CGI script. |
4035721.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.