Information card for entry 4033267

Structure parameters

• Formula: C56 H50 N2 O6 S2
• Calculated formula: C56 H50 N2 O6 S2
• Title of publication: Palladium-Catalyzed Sequential Vinylic C-H Arylation/Amination of 2-Vinylanilines with Aryl boronic Acids: Access to 2-Arylindoles.
• Authors of publication: Yu, Ruixia; Li, Dejun; Zeng, Fanlong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 27.273 ± 0.011 Å
• b: 8.882 ± 0.004 Å
• c: 23.383 ± 0.015 Å
• α: 90°
• β: 124.068 ± 0.007°
• γ: 90°
• Cell volume: 4692 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No