Information card for entry 4113155

Structure parameters

• Formula: C26 H40 Cl N2 P Pd
• Calculated formula: C26 H40 Cl N2 P Pd
• SMILES: [Pd]1(Cl)([P](C(C)(C)C)(C(C)(C)C)C[C@H](C#N)C)[N]([C@@H](c2c1ccc1c2cccc1)C)(C)C
• Title of publication: Nickel(II)-Catalyzed Highly Enantioselective Hydrophosphination of Methacrylonitrile
• Authors of publication: Aaron D. Sadow; Isabelle Haller; Luca Fadini; Antonio Togni
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 14704 - 14705
• a: 8.9815 ± 0.0006 Å
• b: 15.1441 ± 0.0011 Å
• c: 19.2553 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2619 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No