Information card for entry 7160322

Structure parameters

• Formula: C19 H17 N O
• Calculated formula: C19 H17 N O
• Title of publication: Synthesis of 3-propargyl isoindolinones by Pd/Cu-catalyzed enantioselective Heck/Sonogashira reaction of enamides.
• Authors of publication: Wang, Qiang; Pan, Ya-Lin; Liang, Ren-Xiao; Hu, Yuan-Yuan; Jia, Yi-Xia
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1073 - 1077
• a: 7.16669 ± 0.00007 Å
• b: 13.97128 ± 0.00011 Å
• c: 14.98548 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1500.46 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No