Information card for entry 4135117

Structure parameters

• Common name: tBuXphosAuC6H3F2
• Formula: C35 H48 Au F2 P
• Calculated formula: C35 H48 Au F2 P
• SMILES: [Au](c1c(F)cccc1F)[P](C(C)(C)C)(C(C)(C)C)c1ccccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: 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: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 30
• Pages of publication: 13210 - 13218
• a: 9.4563 ± 0.0004 Å
• b: 10.1865 ± 0.0005 Å
• c: 17.3631 ± 0.0008 Å
• α: 98.128 ± 0.002°
• β: 93.544 ± 0.002°
• γ: 102.231 ± 0.002°
• Cell volume: 1610.85 ± 0.13 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No