Information card for entry 1576287

Structure parameters

• Formula: C34 H34 N O
• Calculated formula: C34 H34 N O
• Title of publication: Acyl-oxyallenes as α, β-Unsaturated Ketone Surrogates for Giese Radical Addition
• Authors of publication: Jin, Jiarong; Li, Xin; Luo, Yicheng; Chen, Jian-Fu; Tang, Wenjun; Du, Kang
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 9.2433 ± 0.0005 Å
• b: 11.6116 ± 0.0007 Å
• c: 13.7296 ± 0.0008 Å
• α: 72.825 ± 0.002°
• β: 80.564 ± 0.002°
• γ: 69.791 ± 0.002°
• Cell volume: 1318.05 ± 0.13 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.1303
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No