Information card for entry 4131747

Structure parameters

• Formula: C22 H23 N O2
• Calculated formula: C22 H23 N O2
• Title of publication: Ni-Al Bimetallic Catalyzed Enantioselective Cycloaddition of Cyclopropyl Carboxamide with Alkyne.
• Authors of publication: Liu, Qi-Sheng; Wang, De-Yin; Yang, Zhi-Jun; Luan, Yu-Xin; Yang, Jin-Fei; Li, Jiang-Fei; Pu, You-Ge; Ye, Mengchun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 50
• Pages of publication: 18150 - 18153
• a: 9.9392 ± 0.0002 Å
• b: 10.796 ± 0.0002 Å
• c: 32.3003 ± 0.0004 Å
• α: 90°
• β: 96.08 ± 0.001°
• γ: 90°
• Cell volume: 3446.44 ± 0.1 ų
• Cell temperature: 80 ± 1 K
• Ambient diffraction temperature: 80 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No