Information card for entry 7157530

Structure parameters

• Formula: C26 H26 Cl F3 O4
• Calculated formula: C26 H26 Cl F3 O4
• 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: 12.0518 ± 0.0006 Å
• b: 11.0358 ± 0.0004 Å
• c: 18.5393 ± 0.0009 Å
• α: 90°
• β: 103.931 ± 0.005°
• γ: 90°
• Cell volume: 2393.22 ± 0.19 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: 0.0523
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No