Information card for entry 7161116

Structure parameters

• Common name: Indole C2 Arylation
• Chemical name: Indole C2 Arylation
• Formula: C26 H20 N2 O S
• Calculated formula: C26 H20 N2 O S
• Title of publication: 2-Pyridyl Sulfoxide Directed Pd(II)-Catalyzed Regioselective C2- Arylation/Alkenylation of Indoles
• Authors of publication: Yadav, Kanchan; Jat, Ram Singh; Singh, Ritesh; Goswami, Bhupendra; Bhanuchandra, M.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 10.0779 ± 0.0005 Å
• b: 10.345 ± 0.0005 Å
• c: 11.3372 ± 0.0006 Å
• α: 101.235 ± 0.002°
• β: 112.253 ± 0.001°
• γ: 97.941 ± 0.002°
• Cell volume: 1043.32 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No