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Information card for entry 7112627
Preview
| Coordinates | 7112627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 N2 O |
|---|---|
| Calculated formula | C25 H21 N2 O |
| SMILES | C1(=O)C(C)CC(=C1Nc1ncccc1)/C(=C\c1ccccc1)c1ccccc1 |
| Title of publication | Catalytic intermolecular beta-C-H alkenylation of alpha-enamino-ketones with simple alkynes |
| Authors of publication | Zhiqian Wang; Brandon J. Reinus; Guangbin Dong |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 5230 |
| a | 16.425 Å |
| b | 14.739 Å |
| c | 16.609 Å |
| α | 90° |
| β | 90.3° |
| γ | 90° |
| Cell volume | 4020.79 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.2171 |
| Residual factor for significantly intense reflections | 0.11 |
| Weighted residual factors for significantly intense reflections | 0.2471 |
| Weighted residual factors for all reflections included in the refinement | 0.3097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.