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CIF Information Card
Information card for 7107675
7107674 << 7107675 >> 7107676Preview
|
Coordinates |
7107675.cif |
Structure parameters
| Chemical name | 1,1'-(4-Ethyl-1-methyl-1,4-dihydropyridine-3,5-diyl)diethanone |
| Formula | - C12 H17 N O2 - |
| Calculated formula | - C12 H17 N O2 - |
| Title of publication | A multicomponent formal [1+2+2+1]-cycloaddition for the Synthesis of dihydropyridines |
| Authors of publication | P. Ricardo Girling; Andrei Batsanov; Hong Shen; Andrew Whiting |
| Journal of publication | Chem.Commun. |
| Year of publication | 2012 |
| Journal volume | 48 |
| Pages of publication | 4893 - 4895 |
| a | 10.6949 ± 0.0003 Å |
| b | 9.1552 ± 0.0003 Å |
| c | 11.6695 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1142.61 ± 0.06 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P n a 21 |
| Hall symmetry space group | P 2c -2n |
| Residual factor for all reflections | 0.0407 |
| Residual factor for observed reflections | 0.0384 |
| Weighted residual factors for the observed reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1077 |
| Goodness-of-fit parameter for observed reflections | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |