Information card for entry 7160559

Structure parameters

• Chemical name: (E)-2-((E)-1,2-diphenylvinyl)-5-oxo-3,4-diphenyl-2,5-dihydrofuran-2-yl 2,3-diphenylacrylate
• Formula: C45 H32 O4
• Calculated formula: C45 H32 O4
• Title of publication: Phosphine-catalyzed reaction of cyclopropenones with water: divergent synthesis of highly functionalized γ-butenolides, trisubstituted α,β-unsaturated acids and anhydride.
• Authors of publication: Li, Fujuan; Yang, Danna; Qu, Hongyan; Zhu, Mingqi; Zheng, Suqing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 23
• Pages of publication: 5582 - 5589
• a: 11.7242 ± 0.0005 Å
• b: 14.3519 ± 0.0007 Å
• c: 22.1388 ± 0.001 Å
• α: 108.644 ± 0.002°
• β: 93.89 ± 0.002°
• γ: 101.156 ± 0.002°
• Cell volume: 3429.1 ± 0.3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No