Information card for entry 4518024

Structure parameters

• Formula: C21 H18 N2
• Calculated formula: C21 H18 N2
• Title of publication: Lewis Acid/Hexafluoroisopropanol: A Promoter System for Selective ortho-C-Alkylation of Anilines with Deactivated Styrene Derivatives and Unactivated Alkenes
• Authors of publication: Wang, Shengdong; Force, Guillaume; Guillot, Régis; Carpentier, Jean-François; Sarazin, Yann; Bour, Christophe; Gandon, Vincent; Lebœuf, David
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 10794
• a: 8.9756 ± 0.0004 Å
• b: 9.0718 ± 0.0004 Å
• c: 11.0372 ± 0.0005 Å
• α: 84.016 ± 0.001°
• β: 85.238 ± 0.001°
• γ: 62.683 ± 0.001°
• Cell volume: 793.5 ± 0.06 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No