Information card for entry 7161090

Structure parameters

• Formula: C27 H24 N2 O6 S
• Calculated formula: C27 H24 N2 O6 S
• Title of publication: Palladium-catalyzed enantioselective decarboxylative [3+2] cycloaddition of 5‑vinyloxazolidine-2,4-diones with sterically encumbered ketoimines toward chiral polycyclic 1,4-imidazolidinones
• Authors of publication: Liao, Juan; Sun, Wei; Sun, Guo-Yin; Peng, Xue-Song; Yang, Lei; You, Yong; Wang, Zhen-Hua; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 12.9687 ± 0.0001 Å
• b: 13.3866 ± 0.0001 Å
• c: 13.9106 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2414.97 ± 0.03 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No