Information card for entry 7248304

Structure parameters

• Formula: C93 H72 Cl12 Fe4 N12
• Calculated formula: C93 H72 Cl12 Fe4 N12
• 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: 14.645 ± 0.0018 Å
• b: 20.687 ± 0.003 Å
• c: 15.733 ± 0.002 Å
• α: 90°
• β: 114.91 ± 0.006°
• γ: 90°
• Cell volume: 4323.1 ± 1 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No