Information card for entry 4131039

Structure parameters

• Formula: C16 H17 N O
• Calculated formula: C16 H17 N O
• Title of publication: Palladium-Catalyzed Regio- and Enantioselective Synthesis of Allylic Amines Featuring Tetrasubstituted Tertiary Carbons.
• Authors of publication: Cai, Aijie; Guo, Wusheng; Martínez-Rodríguez, Luis; Kleij, Arjan W.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 43
• Pages of publication: 14194 - 14197
• a: 5.78299 ± 0.00006 Å
• b: 12.5407 ± 0.00014 Å
• c: 17.36504 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1259.36 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0278
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No