Information card for entry 1566550

Structure parameters

• Formula: C12 H16 N2 O2
• Calculated formula: C12 H16 N2 O2
• SMILES: n1c(ccc(c1)CN1CCOCC1)C(=O)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: 7.7366 ± 0.0008 Å
• b: 7.9072 ± 0.0008 Å
• c: 10.7395 ± 0.0011 Å
• α: 99.872 ± 0.004°
• β: 102.594 ± 0.004°
• γ: 113.64 ± 0.004°
• Cell volume: 562.21 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No