Information card for entry 4037370

Structure parameters

• Chemical name: 4-(Bis(4-fluorophenyl)((trimethylsilyl)oxy)methyl)-4-methylchroman-2-one
• Formula: C26 H26 F2 O3 Si
• Calculated formula: C26 H26 F2 O3 Si
• SMILES: O1C(=O)CC(C(O[Si](C)(C)C)(c2ccc(F)cc2)c2ccc(F)cc2)(C)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: 9.855 ± 0.012 Å
• b: 10.139 ± 0.013 Å
• c: 13.689 ± 0.018 Å
• α: 82.78 ± 0.11°
• β: 89.43 ± 0.09°
• γ: 62.14 ± 0.09°
• Cell volume: 1198 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No