Information card for entry 1571083

Structure parameters

• Formula: C30 H45 Au B P
• Calculated formula: C30 H45 Au B P
• SMILES: [Au](c1ccccc1)[P](c1ccccc1B(C1CCCCC1)C1CCCCC1)(C(C)C)C(C)C
• 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: 8.4826 ± 0.0008 Å
• b: 17.7973 ± 0.0016 Å
• c: 37.589 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5674.7 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No