Information card for entry 4133763

Structure parameters

• Formula: C77 H54 F32 Ir2 N8 O3 P2
• Calculated formula: C77 H54 F32 Ir2 N8 O3 P2
• Title of publication: Three-Component Olefin Dicarbofunctionalization Enabled by Nickel/Photoredox Dual Catalysis.
• Authors of publication: Campbell, Mark W.; Compton, Jordan S.; Kelly, Christopher B.; Molander, Gary A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 51
• Pages of publication: 20069 - 20078
• a: 11.4834 ± 0.0008 Å
• b: 13.1501 ± 0.0009 Å
• c: 14.4544 ± 0.001 Å
• α: 72.64 ± 0.002°
• β: 89.929 ± 0.002°
• γ: 77.252 ± 0.002°
• Cell volume: 2027.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0532
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.275
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No