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CIF Information Card
Information card for 7151820
7151819 << 7151820 >> 7151821Preview
|
Coordinates |
7151820.cif |
Structure parameters
| Formula | - C21 H22 O3 - |
| Calculated formula | - C21 H22 O3 - |
| Title of publication | Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications. |
| Authors of publication | Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 2868 - 2877 |
| a | 17.683 ± 0.004 Å |
| b | 10.819 ± 0.002 Å |
| c | 10.206 ± 0.002 Å |
| α | 90° |
| β | 114.81 ± 0.03° |
| γ | 90° |
| Cell volume | 1772.3 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | C 1 c 1 |
| Hall symmetry space group | C -2yc |
| Residual factor for all reflections | 0.0905 |
| Residual factor for observed reflections | 0.0698 |
| Weighted residual factors for the observed reflections | 0.1715 |
| Weighted residual factors for all reflections included in the refinement | 0.1823 |
| Goodness-of-fit parameter for observed reflections | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |