Information card for entry 4519243

Structure parameters

• Formula: C20 H17 N O2
• Calculated formula: C20 H17 N O2
• Title of publication: Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes
• Authors of publication: Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 655 - 661
• a: 8.81977 ± 0.00006 Å
• b: 11.79139 ± 0.00007 Å
• c: 14.962 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1556.01 ± 0.017 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0243
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No