Information card for entry 4037375

Structure parameters

• Chemical name: Methyl (R*)-2-((S*)-2,2-bis(4-fluorophenyl)-2,3-dihydrobenzofuran-3-yl)propanoate
• Formula: C24 H20 F2 O3
• Calculated formula: C24 H20 F2 O3
• SMILES: O1C(c2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]([C@@H](C)C(=O)OC)c2ccccc12.O1C(c2ccc(F)cc2)(c2ccc(F)cc2)[C@H]([C@H](C)C(=O)OC)c2ccccc12
• 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: 13.968 ± 0.005 Å
• b: 15.996 ± 0.004 Å
• c: 13.8 ± 0.004 Å
• α: 90°
• β: 40.447 ± 0.018°
• γ: 90°
• Cell volume: 2000.3 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1722
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No