Information card for entry 2240413

Structure parameters

• Chemical name: <i>N</i>-<i>tert</i>-Butyl-3-(4-fluorophenyl)-5-oxo-4-[2-(trifluoromethoxy)phenyl]-2,5-dihydrofuran-2-carboxamide
• Formula: C22 H19 F4 N O4
• Calculated formula: C22 H19 F4 N O4
• SMILES: Fc1ccc(C2=C(C(=O)OC2C(=O)NC(C)(C)C)c2ccccc2OC(F)(F)F)cc1
• Title of publication: Crystal structures of <i>N</i>-<i>tert</i>-butyl-3-(4-fluorophenyl)-5-oxo-4-[2-(trifluoromethoxy)phenyl]-2,5-dihydrofuran-2-carboxamide and 4-(2<i>H</i>-1,3-benzodioxol-5-yl)-<i>N</i>-cyclohexyl-5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydrofuran-2-carboxamide
• Authors of publication: Roberts, Sue A.; Martinez-Ariza, Guillermo; Hulme, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 199 - 202
• a: 8.0173 ± 0.0008 Å
• b: 24.9 ± 0.002 Å
• c: 10.2186 ± 0.0009 Å
• α: 90°
• β: 96.738 ± 0.002°
• γ: 90°
• Cell volume: 2025.9 ± 0.3 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 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: 0.0383
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes