Information card for entry 1566546

Structure parameters

• Formula: C32 H39 Cl3 Cu N8 O3
• Calculated formula: C32 H39 Cl3 Cu N8 O3
• SMILES: [Cu]12(Cl)(Cl)[n]3c4ccccc4c4c(c3N[N]1=Cc1[n]2cc(cc1)C[NH+]1CCOCC1)[nH]c1ccccc41.[Cl-].O=CN(C)C.O=CN(C)C
• Title of publication: Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.
• Authors of publication: Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2022
• Journal volume: 65
• Journal issue: 3
• Pages of publication: 2238 - 2261
• a: 7.2313 ± 0.001 Å
• b: 9.2604 ± 0.0013 Å
• c: 14.1201 ± 0.0019 Å
• α: 78.16 ± 0.006°
• β: 77.214 ± 0.006°
• γ: 70.423 ± 0.006°
• Cell volume: 859.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No