Information card for entry 7047727

Structure parameters

• Formula: C28 H33 N3 Ni O2
• Calculated formula: C28 H33 N3 Ni O2
• Title of publication: Redox active ligand and metal cooperation for C(sp²)-H oxidation: extension of the galactose oxidase mechanism in water-mediated amide formation.
• Authors of publication: Alaji, Zahra; Safaei, Elham; Yi, Hong; Cong, Hengjiang; Wojtczak, Andrzej; Lei, Aiwen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 43
• Pages of publication: 15293 - 15297
• a: 11.5267 ± 0.0008 Å
• b: 16.6156 ± 0.001 Å
• c: 13.6845 ± 0.0009 Å
• α: 90°
• β: 104.524 ± 0.007°
• γ: 90°
• Cell volume: 2537.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No