Information card for entry 1514190

Structure parameters

• Formula: C36 H28 Cu N2 O4
• Calculated formula: C36 H28 Cu N2 O4
• SMILES: [Cu]12(Oc3cccc4ccc([n]1c34)/C=C/c1ccccc1OC)Oc1cccc3ccc([n]2c13)/C=C/c1ccccc1OC
• Title of publication: Oxidative stress induced by copper and iron complexes with 8-hydroxyquinoline derivatives causes paraptotic death of HeLa cancer cells.
• Authors of publication: Barilli, Amelia; Atzeri, Corrado; Bassanetti, Irene; Ingoglia, Filippo; Dall'asta, Valeria; Bussolati, Ovidio; Maffini, Monica; Mucchino, Claudio; Marchio, Luciano
• Journal of publication: Molecular pharmaceutics
• Year of publication: 2014
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 1151
• a: 24.782 ± 0.007 Å
• b: 7.293 ± 0.002 Å
• c: 15.647 ± 0.004 Å
• α: 90°
• β: 92.667 ± 0.004°
• γ: 90°
• Cell volume: 2824.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No