Information card for entry 4515462

Structure parameters

• Formula: C22 H33 B F2 O4 Si
• Calculated formula: C22 H33 B F2 O4 Si
• SMILES: B1(C(=C(C)\C(C(=O)OCC)(F)F)\c2ccc(cc2)[Si](C)(C)C)OC(C(C)(C)O1)(C)C
• Title of publication: Fluoroalkylation‒Borylation of Alkynes: An Efficient Method To Obtain (Z)-Tri- and Tetrasubstituted Fluoroalkylated Alkenylboronates
• Authors of publication: Guo, Wen-Hao; Zhao, Hai-Yang; Luo, Zhi-Ji; Zhang, Shu; Zhang, Xingang
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 38
• a: 7.4443 ± 0.0002 Å
• b: 10.4007 ± 0.0003 Å
• c: 31.5827 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2445.32 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No