Information card for entry 1552137

Structure parameters

• Formula: C22.5 H19 Au Cl3 O2 P
• Calculated formula: C22.5 H19 Au Cl3 O2 P
• Title of publication: Oxidant speciation and anionic ligand effects in the gold-catalyzed oxidative coupling of arenes and alkynes
• Authors of publication: Hofer, Manuel; de Haro, Teresa; Gómez-Bengoa, Enrique; Genoux, Alexandre; Nevado, Cristina
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 12.59949 ± 0.00018 Å
• b: 10.669 ± 0.00013 Å
• c: 17.9124 ± 0.0003 Å
• α: 90°
• β: 108.335 ± 0.0015°
• γ: 90°
• Cell volume: 2285.62 ± 0.06 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 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: 0.0281
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No