Information card for entry 4106875

Structure parameters

• Formula: C30 H40 N O P Pd
• Calculated formula: C30 H40 N O P Pd
• SMILES: [Pd]1([P](Cc2c1cccc2)(C(C)C)C(C)(C)C)(N(c1ccccc1)c1ccccc1)[O]1CCCC1
• Title of publication: Intermolecular Migratory Insertion of Unactivated Olefins into Palladium-Nitrogen Bonds. Steric and Electronic Effects on the Rate of Migratory Insertion
• Authors of publication: Patrick S. Hanley; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15661 - 15673
• a: 19.671 ± 0.0014 Å
• b: 8.748 ± 0.0007 Å
• c: 15.9812 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2750.1 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No