Information card for entry 7161232

Structure parameters

• Formula: C17 H13 N O2
• Calculated formula: C17 H13 N O2
• Title of publication: Palladium-Catalyzed Chelation-Assisted C-H Functionalization of Quinoline Aldehydes to Esters with Mechanistic Insights
• Authors of publication: Ghosh, Subhash Chandra; Yadav, Anil K.; Thakur, Dinesh Gopichand; Sonawane, Mahesh A.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 8.0758 ± 0.0003 Å
• b: 8.2847 ± 0.0003 Å
• c: 20.1164 ± 0.0007 Å
• α: 93.239 ± 0.001°
• β: 93.031 ± 0.001°
• γ: 96.752 ± 0.002°
• Cell volume: 1332.02 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No