Information card for entry 4321374

Structure parameters

• Formula: C32 H22 Cu N5 O4
• Calculated formula: C32 H22 Cu N5 O4
• Title of publication: Preparation and Oxygenation of (Flavonolato)copper Isoindoline Complexes with Relevance to Quercetin Dioxygenase
• Authors of publication: Éva Balogh-Hergovich; József Kaizer; Gábor Speier; Gottfried Huttner; Albrecht Jacobi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4224 - 4229
• a: 8.048 ± 0.007 Å
• b: 8.969 ± 0.009 Å
• c: 19.244 ± 0.018 Å
• α: 85.69 ± 0.08°
• β: 80.24 ± 0.07°
• γ: 77.87 ± 0.07°
• Cell volume: 1337 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 210 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.1109
• Goodness-of-fit parameter for all reflections: 1.221
• Goodness-of-fit parameter for significantly intense reflections: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No