Information card for entry 1550236

Structure parameters

• Chemical name: 4-(1,1-diphenylethyl)-N,N-dimethylaniline
• Formula: C22 H23 N
• Calculated formula: C22 H23 N
• SMILES: C(c1ccc(cc1)N(C)C)(c1ccccc1)(c1ccccc1)C
• Title of publication: Au(i)-Catalyzed hydroarylation of alkenes with N,N-dialkylanilines: a dual gold catalysis concept
• Authors of publication: Abdellah, Ibrahim; Poater, Albert; Lohier, Jean-François; Gaumont, Annie-Claude
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 24
• Pages of publication: 6486
• a: 9.7438 ± 0.0015 Å
• b: 9.9224 ± 0.0016 Å
• c: 10.984 ± 0.0019 Å
• α: 64.086 ± 0.006°
• β: 78.354 ± 0.007°
• γ: 63.503 ± 0.006°
• Cell volume: 854.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1115
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2647
• Weighted residual factors for all reflections included in the refinement: 0.2795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No