Information card for entry 7054251

Structure parameters

• Formula: C20 H16 F3 N O2
• Calculated formula: C20 H16 F3 N O2
• SMILES: n1(c(c(c(c1)c1ccccc1)C(=O)C)C)c1ccc(cc1)OC(F)(F)F
• Title of publication: Nano-CoFe2O4 supported molybdenum as an efficient and magnetically recoverable catalyst for a one-pot, four-component synthesis of functionalized pyrroles
• Authors of publication: Li, Bao-Le; Zhang, Mo; Hu, Hai-Chuan; Du, Xia; Zhang, Zhan-Hui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 6
• Pages of publication: 2435
• a: 27.553 ± 0.003 Å
• b: 7.7658 ± 0.0008 Å
• c: 17.6413 ± 0.0018 Å
• α: 90°
• β: 110.441 ± 0.002°
• γ: 90°
• Cell volume: 3537 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No