Information card for entry 7248303

Structure parameters

• Formula: C57 H47 Cl15 Cu2 N6 O8
• Calculated formula: C57 H47 Cl15 Cu2 N6 O8
• Title of publication: Design, synthesis and antimycobacterial activity of Imidazo[1,5-a]quinolines and their Zinc-complexes
• Authors of publication: Marner, Michael; Kulhanek, Niclas; Eichberg, Johanna; Hardes, Kornelia; Dal-Molin, Michael; Rybniker, Jan; Kirchner, Michael; Schäberle, Till; Goettlich, Richard
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2024
• a: 13.8332 ± 0.001 Å
• b: 17.6483 ± 0.0014 Å
• c: 27.905 ± 0.002 Å
• α: 90°
• β: 99.303 ± 0.004°
• γ: 90°
• Cell volume: 6722.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No