Information card for entry 4027412

Structure parameters

• Formula: C46 H59 Au2 F6 P2 S Sb
• Calculated formula: C46 H59 Au2 F6 P2 S Sb
• SMILES: [Au]([S]([Au][P](C(C)(C)C)(C(C)(C)C)c1ccccc1c1ccccc1)c1ccccc1)[P](C(C)(C)C)(C(C)(C)C)c1ccccc1c1ccccc1.[Sb](F)(F)(F)([F-])(F)F
• Title of publication: Gold(I)-Catalyzed Addition of Thiols and Thioacids to 3,3-Disubstituted Cyclopropenes
• Authors of publication: Richard J. Mudd; Paul C. Young; James A. Jordan-Hore; Georgina M. Rosair; Ai-Lan Lee
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 7633 - 7639
• a: 24.6918 ± 0.0003 Å
• b: 13.08924 ± 0.00015 Å
• c: 29.3558 ± 0.0004 Å
• α: 90°
• β: 90.7654 ± 0.0011°
• γ: 90°
• Cell volume: 9486.9 ± 0.2 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No