Information card for entry 1508516

Structure parameters

• Formula: C22 H20 Cu N2 O2
• Calculated formula: C22 H20 Cu N2 O2
• SMILES: [Cu]12(Oc3c(cc(c4ccc[n]1c34)C)C)Oc1c(cc(c3ccc[n]2c13)C)C
• Title of publication: Copper-dependent cytotoxicity of 8-hydroxyquinoline derivatives correlates with their hydrophobicity and does not require caspase activation.
• Authors of publication: Tardito, Saverio; Barilli, Amelia; Bassanetti, Irene; Tegoni, Matteo; Bussolati, Ovidio; Franchi-Gazzola, Renata; Mucchino, Claudio; Marchi uciano
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2012
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 10448 - 10459
• a: 9.242 ± 0.003 Å
• b: 10.288 ± 0.003 Å
• c: 14.494 ± 0.004 Å
• α: 77.219 ± 0.005°
• β: 84.291 ± 0.004°
• γ: 80.289 ± 0.005°
• Cell volume: 1321.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.095
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No