Information card for entry 4335439

Structure parameters

• Formula: C26 H18 N4 O2
• Calculated formula: C26 H18 N4 O2
• SMILES: c1c2ccccc2cc(C(=O)Nc2ccccc2NC(=O)c2cc3ccccc3cn2)n1
• Title of publication: Gold(III) Complexes of Pyridyl- and Isoquinolylamido Ligands: Structural, Spectroscopic, and Biological Studies of a New Class of Dual Topoisomerase I and II Inhibitors
• Authors of publication: Colin R. Wilson; Alexander M. Fagenson; Wanvipa Ruangpradit; Mark T. Muller; Orde Q. Munro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7889 - 7906
• a: 5.7773 ± 0.0002 Å
• b: 13.3867 ± 0.0005 Å
• c: 26.7245 ± 0.0009 Å
• α: 90°
• β: 93.836 ± 0.003°
• γ: 90°
• Cell volume: 2062.22 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0629
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No