Information card for entry 7160427

Structure parameters

• Formula: C32 H27 N O3
• Calculated formula: C32 H27 N O3
• Title of publication: Palladium-catalyzed decarboxylation of vinyloxazolidine-2,4-diones used in the divergent reaction with 2-alkynylphenols and 2-alkynylanilines.
• Authors of publication: Yang, Zhong-Lie; Wang, Zhen-Hua; Zhang, Yan-Ping; You, Yong; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 16
• Pages of publication: 3942 - 3950
• a: 32.4772 ± 0.0004 Å
• b: 32.4772 ± 0.0004 Å
• c: 5.0038 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5277.85 ± 0.14 ų
• Cell temperature: 169.98 ± 0.1 K
• Ambient diffraction temperature: 169.98 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No