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Information card for entry 4087761
Preview
| Coordinates | 4087761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 N2 O2 |
|---|---|
| Calculated formula | C14 H14 N2 O2 |
| SMILES | O=n1ccccc1NC(=O)CCc1ccccc1 |
| Title of publication | Palladium-Catalyzed Selective β-Arylation of Aliphatic Amides Using a Removable N,O-Bidentate Auxiliary |
| Authors of publication | Zhang, Shou-Kun; Yang, Xin-Yan; Zhao, Xue-Mei; Li, Peng-Xiang; Niu, Jun-Long; Song, Mao-Ping |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 17 |
| Pages of publication | 4331 |
| a | 13.7515 ± 0.0008 Å |
| b | 4.797 ± 0.0003 Å |
| c | 18.4272 ± 0.0012 Å |
| α | 90° |
| β | 95.504 ± 0.006° |
| γ | 90° |
| Cell volume | 1209.96 ± 0.13 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0671 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.1072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236990 (current) | 2019-11-24 | cif/ Adding structures of 4087760, 4087761 via cif-deposit CGI script. |
4087761.cif |
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Users of the data should acknowledge the original authors of the
structural data.