Information card for entry 7157263

Structure parameters

• Formula: C16 H12 F2 N2 O
• Calculated formula: C16 H12 F2 N2 O
• Title of publication: Ag-Catalyzed minisci C-H difluoromethylarylation of N-heteroarenes.
• Authors of publication: Xie, Xiaojuan; Zhang, Yifang; Hao, Jian; Wan, Wen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 400 - 404
• a: 7.471 ± 0.013 Å
• b: 8.149 ± 0.014 Å
• c: 13.09 ± 0.02 Å
• α: 91.378 ± 0.019°
• β: 105.627 ± 0.019°
• γ: 115.663 ± 0.017°
• Cell volume: 683 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0473
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No