Information card for entry 4517462

Structure parameters

• Formula: C24 H21 N O3
• Calculated formula: C24 H21 N O3
• SMILES: N(=C\C(C(=O)OC)(c1ccccc1)CC(=O)c1ccccc1)/c1ccccc1
• 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: 17.623 ± 0.01 Å
• b: 8.753 ± 0.005 Å
• c: 12.749 ± 0.007 Å
• α: 90°
• β: 99.38 ± 0.008°
• γ: 90°
• Cell volume: 1940.3 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No