Information card for entry 7159906

Structure parameters

• Chemical name: 4,6-diphenyl-3-(p-tolyl)-2H-pyran-2-one
• Formula: C24 H18 O2
• Calculated formula: C24 H18 O2
• SMILES: o1c(=O)c(c2ccc(C)cc2)c(cc1c1ccccc1)c1ccccc1
• Title of publication: Base- and sulfur-promoted oxidative lactonization of chalcone-acetate Michael adducts: access to pyran-2-ones.
• Authors of publication: Nguyen, Cao Nguyen; Nguyen, Duc Toan; Tran, Ha An; Mac, Dinh Hung; Nguyen, Thi Thu Tram; Retailleau, Pascal; Nguyen, Thanh Binh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 19
• Pages of publication: 3871 - 3875
• a: 9.459 ± 0.004 Å
• b: 18.5 ± 0.007 Å
• c: 11.372 ± 0.004 Å
• α: 90°
• β: 114.575 ± 0.012°
• γ: 90°
• Cell volume: 1809.7 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0944
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No