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Information card for entry 1556316
Preview
| Coordinates | 1556316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 N O5 |
|---|---|
| Calculated formula | C17 H17 N O5 |
| SMILES | n1c(c(c(c(c1C)C(=O)OC)C)C(=O)OC)c1ccc(O)cc1 |
| Title of publication | [Ru(bpy)3]2+ aided photocatalytic synthesis of 2-arylpyridines via Hantzsch reaction under visible irradiation and oxygen atmosphere |
| Authors of publication | Ananthakrishnan, Rajakumar; Gazi, Sarifuddin |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 7 |
| Pages of publication | 1463 |
| a | 8.8191 ± 0.0006 Å |
| b | 17.5507 ± 0.0011 Å |
| c | 20.7531 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3212.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P c a b |
| Hall space group symbol | -P 2bc 2ac |
| Residual factor for all reflections | 0.0788 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1416 |
| Weighted residual factors for all reflections included in the refinement | 0.1682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244210 (current) | 2019-11-28 | cif/ Adding structures of 1556316 via cif-deposit CGI script. |
1556316.cif |
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