Information card for entry 4127776

Structure parameters

• Formula: C21 H20 O
• Calculated formula: C21 H20 O
• SMILES: O(c1ccc([C@@H](c2ccc(c3ccccc3)cc2)C)cc1)C
• Title of publication: Nickel-catalyzed Enantioselective Hydroarylation and Hydroalkenylation of Styrenes.
• Authors of publication: Chen, Yue-Gang; Shuai, Bin; Xu, Xue-Tao; Li, Yi-Qian; Yang, Qi-Liang; Qiu, Hui; Zhang, Kun; Fang, Ping; Mei, Tian-Sheng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 8
• Pages of publication: 3395 - 3399
• a: 5.6789 ± 0.0001 Å
• b: 14.8057 ± 0.0003 Å
• c: 19.0477 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1601.53 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No