Information card for entry 2240414

Structure parameters

• Chemical name: 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
• Formula: C25 H22 F3 N O5
• Calculated formula: C25 H22 F3 N O5
• 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: 19.299 ± 0.0007 Å
• b: 9.5345 ± 0.0003 Å
• c: 24.2188 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4456.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes