Information card for entry 7117385

Structure parameters

• Formula: C34 H32 Au Cl F3 N O3 P2 S
• Calculated formula: C34 H32 Au Cl F3 N O3 P2 S
• SMILES: [Au](Cl)[P](N([P+](c1ccccc1)(c1ccccc1)C)CCc1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Bifunctional ligands in combination with phosphines and Lewis acidic phospheniums for the carbonylative Sonogashira reaction
• Authors of publication: Chen Tan; Peng Wang; Huan Liu; Xiao-Li Zhao; Yong Lu; Ye Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10871
• a: 17.0157 ± 0.0004 Å
• b: 15.2244 ± 0.0004 Å
• c: 27.1217 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7026 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• 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: 0.056
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No