Information card for entry 4038337

Structure parameters

• Formula: C20 H27 N O
• Calculated formula: C20 H27 N O
• Title of publication: Palladium-Catalyzed Synthesis of <i>N</i>,<i>N-</i>Dimethylanilines via Buchwald-Hartwig Amination of (Hetero)aryl Triflates.
• Authors of publication: Taeufer, Tobias; Pospech, Jola
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 8.234 ± 0.0002 Å
• b: 12.4121 ± 0.0004 Å
• c: 16.2533 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1661.11 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No