Information card for entry 4518214

Structure parameters

• Formula: C16 H13 Cl2 N S
• Calculated formula: C16 H13 Cl2 N S
• Title of publication: α-Amino Radical-Mediated Diverse Difunctionalization of Alkenes: Construction of C‒C, C‒N, and C‒S Bonds
• Authors of publication: Su, Yong-Liang; Tram, Linh; Wherritt, Daniel; Arman, Hadi; Griffith, Wendell P.; Doyle, Michael P.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 22
• Pages of publication: 13682 - 13687
• a: 11.7514 ± 0.0004 Å
• b: 13.3298 ± 0.0005 Å
• c: 9.6736 ± 0.0003 Å
• α: 90°
• β: 95.87 ± 0.004°
• γ: 90°
• Cell volume: 1507.36 ± 0.09 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No