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Information card for entry 1547874
Preview
| Coordinates | 1547874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 N2 O2 S |
|---|---|
| Calculated formula | C19 H18 N2 O2 S |
| SMILES | c1cc(ccc1Nc1ccc(cn1)S(=O)(=O)c1ccc(cc1)C)C |
| Title of publication | Ruthenium-Catalyzed Remote C-H Sulfonylation of N-Aryl-2-aminopyridines with Aromatic Sulfonyl Chlorides. |
| Authors of publication | Ramesh, Balu; Jeganmohan, Masilamani |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 21 |
| Pages of publication | 6000 - 6003 |
| a | 14.3 ± 0.0005 Å |
| b | 8.3251 ± 0.0003 Å |
| c | 29.9248 ± 0.001 Å |
| α | 90° |
| β | 99.0075 ± 0.0015° |
| γ | 90° |
| Cell volume | 3518.6 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0728 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1029 |
| Weighted residual factors for all reflections included in the refinement | 0.1175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202637 (current) | 2017-11-07 | cif/ Adding structures of 1547874 via cif-deposit CGI script. |
1547874.cif |
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Users of the data should acknowledge the original authors of the
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