Information card for entry 1564694

Structure parameters

• Formula: C35 H33 Cl O3 S
• Calculated formula: C35 H33 Cl O3 S
• Title of publication: Regiodivergent Sulfonylarylations of 1,3-Enynes via Nickel/Photoredox Dual Catalysis
• Authors of publication: Chen, Ya; Zhu, Kun; Huang, Qingqin; Lu, Yixin
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 11.6577 ± 0.0003 Å
• b: 27.6265 ± 0.0008 Å
• c: 10.2389 ± 0.0003 Å
• α: 90°
• β: 113.393 ± 0.001°
• γ: 90°
• Cell volume: 3026.51 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No