Information card for entry 7117386

Structure parameters

• Formula: C29 H30 Au Cl F3 N O4 P2 S
• Calculated formula: C29 H30 Au Cl F3 N O4 P2 S
• SMILES: [Au]([P](N([P+](c1ccccc1)(c1ccccc1)C)CCOC)(c1ccccc1)c1ccccc1)Cl.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: 18.0468 ± 0.0004 Å
• b: 13.1909 ± 0.0003 Å
• c: 14.8731 ± 0.0003 Å
• α: 90°
• β: 112.083 ± 0.001°
• γ: 90°
• Cell volume: 3280.86 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1386
• 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