Information card for entry 4518942

Structure parameters

• Common name: 21059
• Formula: C28 H19 Au F2 I P
• Calculated formula: C28 H19 Au F2 I P
• Title of publication: Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes
• Authors of publication: Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 9578 - 9587
• a: 16.205 ± 0.006 Å
• b: 18.724 ± 0.006 Å
• c: 17.194 ± 0.006 Å
• α: 90°
• β: 111.579 ± 0.012°
• γ: 90°
• Cell volume: 4851 ± 3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No