Information card for entry 1577346

Structure parameters

• Formula: C34 H23 B F20 O2 Si
• Calculated formula: C34 H23 B F20 O2 Si
• Title of publication: Conversion of trifluoromethyls into esters along with polyether upcycling <i>via</i> cation-transfer-catalyzed C-O/C-F metathesis.
• Authors of publication: Li, Zhuojun; Shi, Xiangqian; Zhang, Dongke; Wu, Qian
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 9952 - 9959
• a: 11.1153 ± 0.0001 Å
• b: 20.5467 ± 0.0001 Å
• c: 17.4743 ± 0.0001 Å
• α: 90°
• β: 108.447 ± 0.001°
• γ: 90°
• Cell volume: 3785.77 ± 0.05 ų
• Cell temperature: 138.15 K
• Ambient diffraction temperature: 138.15 K
• Number of distinct elements: 6
• 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: 0.0492
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No