Information card for entry 4515688

Structure parameters

• Chemical name: 2-(5,6-dimethoxy-4,4,7,7-tetraphenyl-1,3,2-dioxaphosphepan-2-yl)- 1,3-diisopropyl-1H-imidazol-3-ium hexafluoroantimonate dichloromethane solvate
• Formula: C42 H50 Cl2 F6 N2 O4 P Sb
• Calculated formula: C41.9999 H49.9998 Cl1.9998 F6 N2 O4 P Sb
• Title of publication: TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
• Authors of publication: Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 6079
• a: 14.5593 ± 0.0007 Å
• b: 16.985 ± 0.003 Å
• c: 18.089 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4473.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No