Information card for entry 4519244

Structure parameters

• Formula: C24 H19 N O2
• Calculated formula: C24 H19 N O2
• SMILES: O=C1N(c2ccccc2[C@]21C=C[C@@](O)(c1c2cccc1)c1ccccc1)C
• 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: 28.6928 ± 0.0009 Å
• b: 28.6928 ± 0.0009 Å
• c: 5.8824 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4194 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No