Information card for entry 7160451

Structure parameters

• Formula: C46 H49 Cl2 N3 O Pd
• Calculated formula: C46 H49 Cl2 N3 O Pd
• Title of publication: A novel acenaphthoimidazolyidene oxazolinic palladium complex and its efficient catalysis in Suzuki-Miyaura cross-coupling reactions of <i>N</i>-acyl-glutarimides <i>via</i> N-C cleavage.
• Authors of publication: Deng, Qinyue; Lin, Tenglong; Liu, Xiaohu; Shao, Han; Lv, Xiaojun; Wu, Xiaoting; Xiong, Fei; Li, Wanfang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 17
• Pages of publication: 4063 - 4068
• a: 12.1841 ± 0.0011 Å
• b: 28.351 ± 0.003 Å
• c: 12.5884 ± 0.0011 Å
• α: 90°
• β: 102.288 ± 0.004°
• γ: 90°
• Cell volume: 4248.8 ± 0.7 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No