Information card for entry 4134911

Structure parameters

• Formula: C29 H32 O3
• Calculated formula: C29 H32 O3
• SMILES: O(C(C)(C)C)C(=O)C(C[C@H](c1ccccc1)C#Cc1cc2ccc(OC)cc2cc1)(C)C
• Title of publication: Copper-Catalyzed Asymmetric Radical 1,2-Carboalkynylation of Alkenes with Alkyl Halides and Terminal Alkynes.
• Authors of publication: Dong, Xiao-Yang; Cheng, Jiang-Tao; Zhang, Yu-Feng; Li, Zhong-Liang; Zhan, Tian-Ya; Chen, Ji-Jun; Wang, Fu-Li; Yang, Ning-Yuan; Ye, Liu; Gu, Qiang-Shuai; Liu, Xin-Yuan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 5.8373 ± 0.0003 Å
• b: 8.5386 ± 0.0005 Å
• c: 47.775 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2381.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0254
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No