Information card for entry 4037363

Structure parameters

• Chemical name: 4-(2-hydroxyphenyl)-5,5-diphenyldihydrofuran-2(3H)-one
• Formula: C22 H18 O3
• Calculated formula: C22 H18 O3
• SMILES: O1C(=O)CC(c2c(O)cccc2)C1(c1ccccc1)c1ccccc1
• Title of publication: Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.
• Authors of publication: Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 22
• Pages of publication: 11043 - 11056
• a: 9.196 ± 0.002 Å
• b: 12.205 ± 0.003 Å
• c: 17.211 ± 0.003 Å
• α: 109.982 ± 0.01°
• β: 94.427 ± 0.009°
• γ: 99.724 ± 0.01°
• Cell volume: 1770.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1387
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No