Information card for entry 4135034

Structure parameters

• Formula: C43 H31 Cl2 F6 I P2 Pd
• Calculated formula: C43 H31 Cl2 F6 I P2 Pd
• Title of publication: Catalytic α-Hydroarylation of Acrylates and Acrylamides via an Interrupted Hydrodehalogenation Reaction.
• Authors of publication: Vasquez, Alena M.; Gurak, John A.; Joe, Candice; Cherney, Emily C.; Engle, Keary M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 14.9867 ± 0.0006 Å
• b: 11.471 ± 0.0005 Å
• c: 24.2026 ± 0.001 Å
• α: 90°
• β: 104.365 ± 0.001°
• γ: 90°
• Cell volume: 4030.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No