Information card for entry 1577347

Structure parameters

• Formula: C30.32 H14.32 B F20 O2.66
• Calculated formula: C30.324 H14.324 B F20 O2.662
• 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: 14.7733 ± 0.0006 Å
• b: 11.3227 ± 0.0004 Å
• c: 17.8844 ± 0.0006 Å
• α: 90°
• β: 90.076 ± 0.004°
• γ: 90°
• Cell volume: 2991.59 ± 0.19 ų
• Cell temperature: 138.15 K
• Ambient diffraction temperature: 138.15 K
• Number of distinct elements: 5
• 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: 0.0973
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2456
• Weighted residual factors for all reflections included in the refinement: 0.2595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No