Information card for entry 7157531

Structure parameters

• Formula: C23 H21 F3 O4 S
• Calculated formula: C23 H21 F3 O4 S
• Title of publication: Syntheses of α-CF₃-α-quaternary ketones via p-quinone methides and their derivatization to compounds with successively congested stereogenic centers.
• Authors of publication: Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 4638 - 4644
• a: 13.8943 ± 0.0004 Å
• b: 9.9889 ± 0.0003 Å
• c: 15.0537 ± 0.0004 Å
• α: 90°
• β: 99.237 ± 0.003°
• γ: 90°
• Cell volume: 2062.19 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No