Information card for entry 4131425

Structure parameters

• Formula: C20 H32 F5 P Pd
• Calculated formula: C20 H32 F5 P Pd
• SMILES: [Pd]([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(C(F)(F)F)C(F)(F)c1ccccc1
• Title of publication: Stoichiometric and Catalytic Aryl-Perfluoroalkyl Coupling at Tri-tert-butylphosphine Palladium(II) Complexes.
• Authors of publication: Ferguson, Devin M.; Bour, James R.; Canty, Allan J.; Kampf, Jeff W.; Sanford, Melanie S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 34
• Pages of publication: 11662 - 11665
• a: 16.80637 ± 0.00013 Å
• b: 14.39046 ± 0.0001 Å
• c: 18.03556 ± 0.00014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4361.93 ± 0.06 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No