Information card for entry 7251582

Structure parameters

• Formula: C18 H17 F3 O2
• Calculated formula: C18 H17 F3 O2
• Title of publication: Mn-Catalyzed Hydroxyalkylation of α-Trifluoromethylstyrenes with Cyclopropanols: Facile Synthesis of δ-Trifluoromethyl-δ-Hydroxyketones
• Authors of publication: Deng, Zhixin; Liu, Zhigang; Han, Jiyao; Zhou, Tong-Yao; Cheng, Dang; Xiao, Xiao; Chen, Fener
• Journal of publication: Green Chemistry
• Year of publication: 2026
• a: 6.5279 ± 0.0014 Å
• b: 11.063 ± 0.002 Å
• c: 22.438 ± 0.005 Å
• α: 90°
• β: 96.638 ± 0.009°
• γ: 90°
• Cell volume: 1609.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1442
• Residual factor for significantly intense reflections: 0.1004
• Weighted residual factors for significantly intense reflections: 0.2451
• Weighted residual factors for all reflections included in the refinement: 0.3013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No