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CIF Information Card
Information card for 7151838
7151837 << 7151838 >> 7151839Preview
|
Coordinates |
7151838.cif |
Structure parameters
| Formula | - C23 H22 Br N O3 - |
| Calculated formula | - C23 H22 Br N O3 - |
| Title of publication | Multifunctional chiral phosphines-catalyzed highly diastereoselective and enantioselective substitution of Morita-Baylis-Hillman adducts with oxazolones. |
| Authors of publication | Yang, Yuan-Liang; Pei, Cheng-Kui; Shi, Min |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 3349 - 3358 |
| a | 10.5465 ± 0.0015 Å |
| b | 13.646 ± 0.002 Å |
| c | 14.694 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2114.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.0961 |
| Residual factor for observed reflections | 0.0406 |
| Weighted residual factors for the observed reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for observed reflections | 0.903 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |