Information card for entry 4027593

Structure parameters

• Formula: C20 H44 Cu4 I4 N4
• Calculated formula: C20 H44 Cu4 I4 N4
• SMILES: [I]12[Cu]3456([I]7[Cu]89%104([I]4[Cu]1579([NH]1CCCCC1)[Cu]26%104([I]38)[NH]1CCCCC1)[NH]1CCCCC1)[NH]1CCCCC1
• Title of publication: Aerobic Oxidative Amidation of Aromatic and Cinnamic Aldehydes with Secondary Amines by CuI/2-Pyridonate Catalytic System
• Authors of publication: Mingwen Zhu; Ken-ichi Fujita; Ryohei Yamaguchi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 9102 - 9109
• a: 14.6652 ± 0.0005 Å
• b: 14.6652 ± 0.0005 Å
• c: 7.5699 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1628.04 ± 0.1 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.0337
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No