Information card for entry 4117224

Structure parameters

• Formula: C48 H50 Cu N2 O2 S2
• Calculated formula: C48 H50 Cu N2 O2 S2
• Title of publication: Galactose Oxidase Model Complexes: Catalytic Reactivities
• Authors of publication: Yadong Wang; T. D. P. Stack
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 13097 - 13098
• a: 10.4865 ± 0.0009 Å
• b: 15.996 ± 0.001 Å
• c: 17.986 ± 0.002 Å
• α: 69.347 ± 0.001°
• β: 88.254 ± 0.001°
• γ: 81.377 ± 0.001°
• Cell volume: 2790.4 ± 0.4 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.097
• Goodness-of-fit parameter for significantly intense reflections: 2.73
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No