Information card for entry 4517461

Structure parameters

• Formula: C24 H17 F2 N O2
• Calculated formula: C24 H17 F2 N O2
• SMILES: Fc1ccc(c2cc(n(c2C(=O)OC)c2ccccc2)c2ccc(F)cc2)cc1
• Title of publication: Highly Regioselective Synthesis of Multisubstituted Pyrroles via Ag-Catalyzed [4+1C]insert Cascade
• Authors of publication: Luo, Kaixiu; Mao, Shuai; He, Kun; Yu, Xianglin; Pan, Junhong; Lin, Jun; Shao, Zhihui; Jin, Yi
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 3733
• a: 9.3619 ± 0.0003 Å
• b: 10.2474 ± 0.0003 Å
• c: 11.0622 ± 0.0003 Å
• α: 73.881 ± 0.001°
• β: 65.949 ± 0.001°
• γ: 83.137 ± 0.001°
• Cell volume: 931 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No