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Information card for entry 4024143
Preview
Coordinates | 4024143.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H34 Cl4 O4 P2 Pd Ru |
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Calculated formula | C39 H34 Cl4 O4 P2 Pd Ru |
SMILES | [Pd]1([P]([c]23[cH]4[Ru]56789%102([c]3([cH]5[cH]46)C(=O)OC)[c]2([P]1(c1ccccc1)c1ccccc1)[cH]7[cH]8[cH]9[c]%102C(=O)OC)(c1ccccc1)c1ccccc1)(Cl)Cl.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 | 10.4389 ± 0.0018 Å |
b | 16.491 ± 0.003 Å |
c | 22.816 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3927.8 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0459 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0732 |
Weighted residual factors for all reflections included in the refinement | 0.0757 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
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/4024143.html
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