Information card for entry 7161115

Structure parameters

• Chemical name: Indole C2 olefination
• Formula: C3.429 H2.857 N0.286 O0.429 S0.143
• Calculated formula: C3.42857 H2.85714 N0.285714 O0.428571 S0.142857
• 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: 10.4219 ± 0.0005 Å
• b: 10.5863 ± 0.0005 Å
• c: 11.5849 ± 0.0005 Å
• α: 96.178 ± 0.003°
• β: 116.703 ± 0.004°
• γ: 111.389 ± 0.004°
• Cell volume: 1004.97 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0449
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No