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Information card for entry 7220749
Preview
| Coordinates | 7220749.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H12 Br N |
|---|---|
| Calculated formula | C17 H12 Br N |
| SMILES | c1(cccc(c2ccc(cc2)c2ccccc2)n1)Br |
| Title of publication | Selective Palladium-Catalysed Arylation of 2,6-Dibromopyridine Using N-Heterocyclic Carbene Ligands |
| Authors of publication | Kapdi, Dr. Anant; Prajapati, Dharmendra; Schulzke, Carola; Kindermann, Markus Karl |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 28.494 ± 0.006 Å |
| b | 7.2296 ± 0.0014 Å |
| c | 6.2594 ± 0.0013 Å |
| α | 90° |
| β | 92.33 ± 0.03° |
| γ | 90° |
| Cell volume | 1288.4 ± 0.5 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0527 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.0995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 139070 (current) | 2015-06-11 | cif/ Adding structures of 7220749, 7220750 via cif-deposit CGI script. |
7220749.cif |
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