Information card for entry 4128688

Structure parameters

• Formula: C28 H30 N O3 S
• Calculated formula: C28 H29 N O3 S
• SMILES: S(=O)(=O)(N1CC=C(C[C@@]2(c3c(OC2)ccc(c2ccccc2)c3)C)CC1)c1ccc(cc1)C
• Title of publication: Highly Enantioselective Cross-Electrophile Aryl-Alkenylation of Unactivated Alkenes.
• Authors of publication: Tian, Zhi-Xiong; Qiao, Jin-Bao; Xu, Guang-Li; Pang, Xiaobo; Qi, Liangliang; Ma, Wei-Yuan; Zhao, Zhen-Zhen; Duan, Jicheng; Du, Yun-Fei; Su, Peifeng; Liu, Xue-Yuan; Shu, Xing-Zhong
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 18
• Pages of publication: 7637 - 7643
• a: 8.5255 ± 0.0006 Å
• b: 10.9187 ± 0.0009 Å
• c: 26.122 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2431.6 ± 0.4 ų
• Cell temperature: 295.6 ± 0.2 K
• Ambient diffraction temperature: 295.6 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.1101
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1894
• Weighted residual factors for all reflections included in the refinement: 0.2606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No