Information card for entry 4519285

Structure parameters

• Formula: C54 H76 Co N2 O2
• Calculated formula: C54 H76 Co N2 O2
• Title of publication: Cobalt-Catalyzed C(sp2)–C(sp3) Suzuki–Miyaura Cross-Coupling Enabled by Well-Defined Precatalysts with L,X-Type Ligands
• Authors of publication: Mills, L. Reginald; Gygi, David; Ludwig, Jacob R.; Simmons, Eric M.; Wisniewski, Steven R.; Kim, Junho; Chirik, Paul J.
• Journal of publication: ACS Catalysis
• Year of publication: 2022
• Pages of publication: 1905 - 1918
• a: 14.2566 ± 0.0007 Å
• b: 14.6272 ± 0.0006 Å
• c: 15.6252 ± 0.0007 Å
• α: 73.694 ± 0.002°
• β: 69.455 ± 0.002°
• γ: 86.611 ± 0.002°
• Cell volume: 2925.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No