Information card for entry 1571084

Structure parameters

• Formula: C50 H80 Au2 B2 Cl F6 N O4 P2 S2
• Calculated formula: C50 H80 Au2 B2 Cl F6 N O4 P2 S2
• Title of publication: Chemo-selective Stille-type coupling of acyl-chlorides upon phosphine-borane Au(i) catalysis.
• Authors of publication: Hidalgo, Nereida; Le Gac, Arnaud; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 5187 - 5191
• a: 9.572 ± 0.0004 Å
• b: 39.2345 ± 0.0015 Å
• c: 15.7352 ± 0.0006 Å
• α: 90°
• β: 95.739 ± 0.002°
• γ: 90°
• Cell volume: 5879.8 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 10
• 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: 0.0274
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No