Information card for entry 7054312

Structure parameters

• Formula: C11 H17 Cu N O9
• Calculated formula: C11 H17 Cu N O9
• SMILES: C(=O)(c1ccc(C(=O)[O-])cc1NC(=O)CC)O[Cu]([OH2])([OH2])([OH2])[OH2]
• Title of publication: Synthesis, structure and catalytic applications of amidoterephthalate copper complexes in the diastereoselective Henry reaction in aqueous medium
• Authors of publication: Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 10
• Pages of publication: 4837
• a: 7.4875 ± 0.0003 Å
• b: 9.4303 ± 0.0003 Å
• c: 10.4406 ± 0.0004 Å
• α: 78.225 ± 0.002°
• β: 84.542 ± 0.003°
• γ: 83.261 ± 0.002°
• Cell volume: 714.78 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No