Information card for entry 7160372

Structure parameters

• Formula: C17 H14 Br F N2 O4
• Calculated formula: C17 H14 Br F N2 O4
• Title of publication: Palladium(II)/Lewis acid catalyzed oxidative olefination of 2-benzamidopyridine 1-oxide with acrylates: synthesis of isoindolinones.
• Authors of publication: Patel, Dharmik M.; Patel, Raj N.; Rathod, Nileshkumar B.; Patel, Sachinkumar D.; Thakur, Dinesh G.; Sonawane, Mahesh A.; Ghosh, Subhash Chandra
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 11
• Pages of publication: 2697 - 2703
• a: 8.94 ± 0.0005 Å
• b: 9.2953 ± 0.0005 Å
• c: 11.9582 ± 0.0007 Å
• α: 84.896 ± 0.002°
• β: 72.675 ± 0.002°
• γ: 61.415 ± 0.002°
• Cell volume: 831.31 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No