Information card for entry 1518660

Structure parameters

• Formula: C20 H21 F O2 S2
• Calculated formula: C20 H21 F O2 S2
• SMILES: S(C(=C(CCc1ccc(F)cc1)C(=O)c1cccc(OC)c1)SC)C
• Title of publication: Brønsted Acid Catalyzed PhSe Transfer versus Radical Aryl Transfer: Linear Codimerization of Styrenes and Internal Olefins.
• Authors of publication: Wu, Ping; Wang, Liandi; Wu, Kaikai; Yu, Zhengkun
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 868 - 871
• a: 10.5963 ± 0.0005 Å
• b: 16.7072 ± 0.0009 Å
• c: 10.9555 ± 0.0006 Å
• α: 90°
• β: 95.184 ± 0.005°
• γ: 90°
• Cell volume: 1931.57 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No