Information card for entry 7159414

Structure parameters

• Chemical name: (Z)-5-benzylidene-4-(4-methoxyphenyl)-3-(4-(trifluoromethyl)benzyl)oxazolidin-2-one
• Formula: C25 H20 F3 N O3
• Calculated formula: C25 H20 F3 N O3
• Title of publication: Highly efficient fixation of carbon dioxide into 2-oxazolidinones under mild conditions by using a reusable ionic liquid/CuI catalyst system.
• Authors of publication: Egashira, Mayumi; Chen, Hsiu-Hui
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 5377 - 5381
• a: 20.0518 ± 0.0004 Å
• b: 10.0983 ± 0.0002 Å
• c: 10.6704 ± 0.0003 Å
• α: 90°
• β: 104.628 ± 0.001°
• γ: 90°
• Cell volume: 2090.6 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0875
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No