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Information card for entry 7226274
Preview
| Coordinates | 7226274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H21 N3 O2 |
|---|---|
| Calculated formula | C24 H20 N4 O2 |
| SMILES | c1ccccc1/C=C/COc1ccccc1C(=O)Nc1ccccc1n1ccnn1 |
| Title of publication | Copper-Mediated Etherification of Arenes with Alkoxysilanes Directed by (2-Aminophenyl)pyrazole Group |
| Authors of publication | J, SELVAKUMAR; Grandhi, Gowri Sankar; Sahoo, Harekrishna; Baidya, Mahiuddin |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 9.6084 ± 0.001 Å |
| b | 11.1938 ± 0.0017 Å |
| c | 19.649 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2113.3 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0755 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.0983 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185861 (current) | 2016-08-17 | cif/ Adding structures of 7226272, 7226273, 7226274 via cif-deposit CGI script. |
7226274.cif |
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Users of the data should acknowledge the original authors of the
structural data.