Information card for entry 7133827

Structure parameters

• Formula: C22 H24 O2
• Calculated formula: C22 H24 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: 7.857 ± 0.0006 Å
• b: 10.6978 ± 0.0009 Å
• c: 11.0526 ± 0.001 Å
• α: 90°
• β: 105.428 ± 0.005°
• γ: 90°
• Cell volume: 895.52 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No