Information card for entry 7016522

Structure parameters

• Formula: C41 H41 Cu N5 O5
• Calculated formula: C41 H41 Cu N5 O5
• SMILES: [Cu]1([n]2c(Nc3[n]1cccc3)cccc2)(OC(=O)c1ccccc1Nc1cccc(c1C)C)OC(=O)c1ccccc1Nc1cccc(c1C)C.OC
• Title of publication: Non-steroidal antiinflammatory drug-copper(ii) complexes: Structure and biological perspectives.
• Authors of publication: Dimiza, Filitsa; Fountoulaki, Stella; Papadopoulos, Athanasios N.; Kontogiorgis, Christos A.; Tangoulis, Vassilis; Raptopoulou, Catherine P.; Psycharis, Vassilis; Terzis, Aris; Kessissoglou, Dimitris P.; Psomas, George
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 34
• Pages of publication: 8555 - 8568
• a: 11.1512 ± 0.0002 Å
• b: 14.0929 ± 0.0002 Å
• c: 23.7121 ± 0.0004 Å
• α: 90°
• β: 101.795 ± 0.001°
• γ: 90°
• Cell volume: 3647.74 ± 0.1 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No