Information card for entry 7125863

Structure parameters

• Formula: C20 H21 N O2
• Calculated formula: C20 H21 N O2
• Title of publication: An organocatalytic asymmetric Friedel-Crafts reaction of 2-substituted indoles with aldehydes: enantioselective synthesis of α-hydroxyl ketones by low loading of chiral phosphoric acid.
• Authors of publication: Deng, Xiong-Fei; Wang, Ying-Wei; Zhang, Shi-Qi; Li, Ling; Li, Guang-Xun; Zhao, Gang; Tang, Zhuo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 16
• Pages of publication: 2499 - 2502
• a: 14.3043 ± 0.0011 Å
• b: 9.7587 ± 0.0007 Å
• c: 12.3878 ± 0.0007 Å
• α: 90°
• β: 105.846 ± 0.007°
• γ: 90°
• Cell volume: 1663.5 ± 0.2 ų
• Cell temperature: 295.9 ± 0.2 K
• Ambient diffraction temperature: 295.9 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2933
• Weighted residual factors for all reflections included in the refinement: 0.2996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.372
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No