Information card for entry 3500036

Structure parameters

• Formula: C19 H20 Cu N2 O2
• Calculated formula: C19 H20 Cu N2 O2
• SMILES: [Cu]123Oc4ccccc4C=[N]1CC(C)(C)C[N]2=Cc1ccccc1O3
• Authors of publication: Juergen Lange
• Journal of publication: Personal communication to COD
• Year of publication: 2016
• a: 9.746 ± 0.003 Å
• b: 17.215 ± 0.005 Å
• c: 11.36 ± 0.004 Å
• α: 90°
• β: 112.99 ± 0.01°
• γ: 90°
• Cell volume: 1754.6 ± 1 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• 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: 0.0381
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.0739
• Goodness-of-fit parameter for all reflections: 1.125
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes