Information card for entry 4507766

Structure parameters

• Formula: C20 H17 F3 N2 O3
• Calculated formula: C20 H17 F3 N2 O3
• SMILES: FC(F)(F)c1cc(NC2=C(CN(Cc3ccccc3)C2=O)C(=O)OC)ccc1
• Title of publication: Development of four-component synthesis of tetra- and pentasubstituted polyfunctional dihydropyrroles: free permutation and combination of aromatic and aliphatic amines.
• Authors of publication: Lv, Longyun; Zheng, Sichao; Cai, Xiaotie; Chen, Zhipeng; Zhu, Qiuhua; Liu, Shuwen
• Journal of publication: ACS combinatorial science
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 183 - 192
• a: 7.663 ± 0.002 Å
• b: 8.714 ± 0.003 Å
• c: 28.376 ± 0.009 Å
• α: 90°
• β: 93.862 ± 0.005°
• γ: 90°
• Cell volume: 1890.5 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1808
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No