Information card for entry 1546024

Structure parameters

• Formula: C63 H74 F10 O4 P Pd S
• Calculated formula: C63 H74 F10 O4 P Pd S
• Title of publication: Oxidative Addition Complexes as Precatalysts for Cross-Coupling Reactions Requiring Extremely Bulky Biarylphosphine Ligands.
• Authors of publication: Ingoglia, Bryan T.; Buchwald, Stephen L.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 2853 - 2856
• a: 16.199 ± 0.003 Å
• b: 18.065 ± 0.003 Å
• c: 23.596 ± 0.004 Å
• α: 102.7 ± 0.004°
• β: 107.741 ± 0.004°
• γ: 106.042 ± 0.004°
• Cell volume: 5961.7 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1272
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No