Information card for entry 1518659

Structure parameters

• Formula: C25 H23 Br O S2 Se
• Calculated formula: C25 H23 Br O S2 Se
• SMILES: Brc1ccc(C(=O)C(=C(SC)SC)C(C[Se]c2ccccc2)c2ccccc2)cc1
• 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: 9.5704 ± 0.0013 Å
• b: 11.7332 ± 0.0016 Å
• c: 21.056 ± 0.003 Å
• α: 90°
• β: 97.692 ± 0.003°
• γ: 90°
• Cell volume: 2343.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No