Information card for entry 4120691

Structure parameters

• Formula: C4 H8 Au Br3 S
• Calculated formula: C4 H8 Au Br3 S
• SMILES: [Au](Br)(Br)(Br)[S]1CCCC1
• 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: 17.133 ± 0.0006 Å
• b: 7.1093 ± 0.0003 Å
• c: 17.3925 ± 0.0006 Å
• α: 90°
• β: 116.397 ± 0.002°
• γ: 90°
• Cell volume: 1897.59 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0213
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No