Information card for entry 1574377

Structure parameters

• Formula: C28 H21 F3 O
• Calculated formula: C28 H21 F3 O
• Title of publication: O-Trifluoromethylation of ketones: an alternative straightforward route to alkenyl trifluoromethyl ethers
• Authors of publication: Gao, Chi; Liu, Yang; Li, Cheng-Sheng; Guo, He; Wang, Sheng-Han; Xu, Cong; Wang, Mang
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 8561 - 8568
• a: 11.7028 ± 0.0006 Å
• b: 5.5202 ± 0.0002 Å
• c: 33.5271 ± 0.0014 Å
• α: 90°
• β: 94.414 ± 0.002°
• γ: 90°
• Cell volume: 2159.49 ± 0.16 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 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: 0.066
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No