Information card for entry 7160582

Structure parameters

• Formula: C20 H17 N O3
• Calculated formula: C20 H17 N O3
• Title of publication: Pd(II)-catalyzed domino C-H addition/Heck reaction for stereoselective 3-alkylideneoxindole synthesis.
• Authors of publication: Hong, Kai; Zhang, Tengfei; Li, Qing; Li, Xue; Sun, Zhonghui; Zhao, Gongyuan; Peng, Jinsong; Chen, Chunxia
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 26
• Pages of publication: 6391 - 6399
• a: 10.883 ± 0.004 Å
• b: 6.841 ± 0.002 Å
• c: 22.542 ± 0.007 Å
• α: 90°
• β: 99.404 ± 0.011°
• γ: 90°
• Cell volume: 1655.7 ± 0.9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2381
• Weighted residual factors for all reflections included in the refinement: 0.2783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No