Information card for entry 7160857

Structure parameters

• Formula: C48 H36 O4
• Calculated formula: C48 H36 O4
• Title of publication: Synthesis of phenolic derivatives via photoredox formal [4 + 2] tandem annulation of α-bromoketones and terminal alkynes
• Authors of publication: Ma, Yingchun; Yu, Ping; Shang, Guobao; Hu, Jingqi; Zhang, Zilong; Shi, Lou; Chang, Qiaowen; Sun, Shaoguang; Liang, Deqiang
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 9.6426 ± 0.0003 Å
• b: 12.3442 ± 0.0003 Å
• c: 15.2224 ± 0.0004 Å
• α: 90.972 ± 0.001°
• β: 103.314 ± 0.001°
• γ: 96.079 ± 0.001°
• Cell volume: 1751.71 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0641
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No