Information card for entry 7003938

Structure parameters

• Formula: C32 H42 Cu N2 O4
• Calculated formula: C32 H42 Cu N2 O4
• SMILES: [Cu]123(Oc4c(C(C)(C)C)cc(C)cc4C[N]2(Cc2cc(C)cc(C(C)(C)C)c2[OH]1)Cc1[n]3cccc1)OC(=O)C
• Title of publication: Structural and functional mimic of galactose oxidase by a copper complex of a sterically demanding [N2O2] ligand
• Authors of publication: John, Alex; Shaikh, Mobin M.; Ghosh, Prasenjit
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 21
• Pages of publication: 2815 - 2824
• a: 12.3083 ± 0.0004 Å
• b: 14.719 ± 0.002 Å
• c: 18.0662 ± 0.0015 Å
• α: 73.601 ± 0.01°
• β: 74.338 ± 0.005°
• γ: 83.836 ± 0.008°
• Cell volume: 3021.5 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0479
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No