Information card for entry 7133828

Structure parameters

• Formula: C23 H23 F3 O2
• Calculated formula: C23 H23 F3 O2
• Title of publication: Substrate-directed regioselective alkene functionalizations of (<i>E</i>)-β,γ-unsaturated carboxylic acids.
• Authors of publication: Chang, Chi-Hao; Yen, Chao-Ting; Goncalves, Théo P; Lin, Yu-Sheng; Wang, Yu-Chun; Basha, R. Sidick; Chen, Bo-Yan; Fu, Cheng-Hao; Chen, Liang-Wei; Jhou, Meng-Li; Huang, Kuo-Wei; Chou, Chih-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 80
• Pages of publication: 11339 - 11342
• a: 11.4578 ± 0.0009 Å
• b: 22.1975 ± 0.0018 Å
• c: 8.4627 ± 0.0007 Å
• α: 90°
• β: 109.64 ± 0.002°
• γ: 90°
• Cell volume: 2027.1 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No