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Information card for entry 4024146
Preview
Coordinates | 4024146.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40.5 H37 Cl3 Fe O4 P2 Pd |
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Calculated formula | C40.5 H37 Cl3 Fe O4 P2 Pd |
SMILES | [Pd]1(Cl)(Cl)[P]([c]23[cH]4[Fe]56789%102([cH]4[cH]5[c]36C(=O)OCC)[c]2([c]%10([cH]9[cH]8[cH]72)C(=O)OCC)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl |
Title of publication | Novel C~2~-Symmetric Planar Chiral Diphosphine Ligands and Their Application in Pd-Catalyzed Asymmetric Allylic Substitutions |
Authors of publication | Delong Liu; Fang Xie; Wanbin Zhang |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 6992 - 6997 |
a | 10.4928 ± 0.0006 Å |
b | 17.4542 ± 0.001 Å |
c | 21.2109 ± 0.0013 Å |
α | 90° |
β | 91.888 ± 0.001° |
γ | 90° |
Cell volume | 3882.5 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0694 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.1101 |
Weighted residual factors for all reflections included in the refinement | 0.1336 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.969 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4024146.html
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