Information card for entry 4037356

Structure parameters

• Chemical name: 4-(2-Hydroxyphenyl)-4-methyl-5,5-diphenyldihydrofuran-2(3H)-one
• Formula: C23 H20 O3
• Calculated formula: C23 H20 O3
• SMILES: O1C(=O)CC(C)(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: 10.058 ± 0.004 Å
• b: 14.875 ± 0.004 Å
• c: 13.023 ± 0.006 Å
• α: 90°
• β: 105.939 ± 0.012°
• γ: 90°
• Cell volume: 1873.5 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1439
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No