Information card for entry 7134932

Structure parameters

• Formula: C25 H20 O3
• Calculated formula: C25 H20 O3
• Title of publication: Electrochemical dehydrogenative α-vinylation and α-allylation of cyclic β-ketoesters.
• Authors of publication: Wu, Hao-Ze; Zhai, Jing-Qi; Sun, Jun-Xi; Liu, Ying-Pin; Tu, Man-Su; Hao, Wen-Juan; Jiang, Bo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 78
• Pages of publication: 15187 - 15190
• a: 8.797 ± 0.003 Å
• b: 10.718 ± 0.003 Å
• c: 11.047 ± 0.004 Å
• α: 97.418 ± 0.004°
• β: 90.078 ± 0.004°
• γ: 110.84 ± 0.004°
• Cell volume: 964 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No