Information card for entry 4120690

Structure parameters

• Formula: C27 H31 Au N4 O3 S
• Calculated formula: C27 H31 Au N4 O3 S
• SMILES: [Au]1(c2ccccc2c2ccccc12)([n]1ccc(N(C)C)cc1)[n]1ccc(N(C)C)cc1.S(=O)(=O)([O-])C
• Title of publication: Gold-Catalyzed Oxidative Coupling of Arylsilanes and Arenes: Origin of Selectivity and Improved Precatalyst.
• Authors of publication: Ball, Liam T.; Lloyd-Jones, Guy C; Russell, Christopher A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 1
• Pages of publication: 254 - 264
• a: 9.7151 ± 0.0014 Å
• b: 15.526 ± 0.002 Å
• c: 17.882 ± 0.003 Å
• α: 90°
• β: 103.757 ± 0.005°
• γ: 90°
• Cell volume: 2619.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No