Information card for entry 4518924

Structure parameters

• Formula: C28 H25 N O3
• Calculated formula: C28 H25 N O3
• Title of publication: Lewis Acid/Brønsted Base-Assisted Palladium Catalysis: Stereoselective Construction of Skeletally Diverse Spiro-Ketolactams from Vinylethylene Carbonates
• Authors of publication: Huang, Qian-Wei; Qi, Ting; Liu, Yue; Zhang, Xiang; Li, Qing-Zhu; Gou, Chuan; Tao, Ying-Mao; Leng, Hai-Jun; Li, Jun-Long
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 10148 - 10158
• a: 25.0296 ± 0.0003 Å
• b: 21.4254 ± 0.0003 Å
• c: 8.35199 ± 0.00014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4478.91 ± 0.11 ų
• Cell temperature: 295 ± 0.4 K
• Ambient diffraction temperature: 295 ± 0.4 K
• Number of distinct elements: 4
• 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: 0.0556
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No