Information card for entry 7153865

Structure parameters

• Formula: C20 H32 Cl4 Cu2 N4 O4
• Calculated formula: C20 H32 Cl4 Cu2 N4 O4
• SMILES: C1(COC2C3=[N]([Cu]4([N]1=2)(Cl)[Cl][Cu]1([N]2C(COC=2C2=[N]1C(CO2)(C)C)(C)C)(Cl)[Cl]4)C(C)(CO3)C)(C)C
• Title of publication: Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines.
• Authors of publication: Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 29
• Pages of publication: 5509 - 5516
• a: 11.6403 ± 0.0009 Å
• b: 14.5767 ± 0.0011 Å
• c: 16.4463 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2790.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No