Information card for entry 7110510

Structure parameters

• Formula: C32 H39 B Cu N4 O2
• Calculated formula: C32 H39 B Cu N4 O2
• Title of publication: The crystal structures of glycylglycine and glycine complexes of cis,cis-1,3,5-triaminocyclohexane‒copper(II) as reaction intermediates of metal-promoted peptide hydrolysis
• Authors of publication: Tan, Xiang Shi; Fujii, Yuki; Sato, Tsuyoshi; Nakano, Yoshiharu; Yashiro, Morio
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 881
• a: 9.879 ± 0.002 Å
• b: 30.374 ± 0.009 Å
• c: 9.769 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2931.3 ± 1.2 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 3.203
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No