Information card for entry 1573464

Structure parameters

• Formula: C26 H25 F O6
• Calculated formula: C26 H25 F O6
• SMILES: FC1=C(c2ccccc2)CC(C2(CC1(C2)c1ccccc1)C(=O)OC)(C(=O)OC)C(=O)OC
• Title of publication: Synthesis of fluorine-containing bicyclo[4.1.1]octenes <i>via</i> photocatalyzed defluorinative (4 + 3) annulation of bicyclo[1.1.0]butanes with <i>gem</i>-difluoroalkenes.
• Authors of publication: Zhang, Kuan; Gao, Zhengyang; Xia, Yan; Li, Pengfei; Gao, Pin; Duan, Xin-Hua; Guo, Li-Na
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 1411 - 1416
• a: 7.2891 ± 0.0001 Å
• b: 9.7884 ± 0.0002 Å
• c: 15.6447 ± 0.0003 Å
• α: 88.064 ± 0.001°
• β: 84.589 ± 0.001°
• γ: 80.174 ± 0.001°
• Cell volume: 1094.77 ± 0.03 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No