Information card for entry 7151935

Structure parameters

• Formula: C18 H19 F3 O3
• Calculated formula: C18 H19 F3 O3
• Title of publication: Phosphine-catalyzed [3 + 2] cycloaddition of allenoates with trifluoromethylketones: synthesis of dihydrofurans and tetrahydrofurans.
• Authors of publication: Wang, Tong; Ye, Song
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 14
• Pages of publication: 5260 - 5265
• a: 5.935 ± 0.003 Å
• b: 23.843 ± 0.01 Å
• c: 11.898 ± 0.005 Å
• α: 90°
• β: 93.864 ± 0.005°
• γ: 90°
• Cell volume: 1679.8 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No