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CIF Information Card
Information card for 4115609
4115608 << 4115609 >> 4115610Preview
|
Coordinates |
4115609.cif |
Structure parameters
| Formula | - C44 H43 F6 Fe N O P Pd Sb - |
| Calculated formula | - C44 H43 F6 Fe N O P Pd Sb - |
| Title of publication | Importance of Planar Chirality in Chiral Catalysts with Three Chiral Elements: The Role of Planar Chirality in 2'-Substituted 1,1'-P,N-Ferrocene Ligands on the Enantioselectivity in Pd-Catalyzed Allylic Substitution |
| Authors of publication | Wei-Ping Deng; Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia; Jie Sun |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2001 |
| Journal volume | 123 |
| Pages of publication | 6508 - 6519 |
| a | 10.833 ± 0.002 Å |
| b | 19.344 ± 0.007 Å |
| c | 20.46 ± 0.003 Å |
| α | 90° |
| β | 104.64 ± 0.01° |
| γ | 90° |
| Cell volume | 4148.3 ± 1.8 Å3 |
| Cell temperature | 20 K |
| Ambient diffraction temperature | 20 K |
| Number of distinct elements | 9 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for observed reflections | 0.031 |
| Weighted residual factors for the observed reflections | 0.038 |
| Goodness-of-fit parameter for observed reflections | 1.56 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKalpha |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |