Information card for entry 1569484

Structure parameters

• Formula: C18 H39 Cu N3 O4 S
• Calculated formula: C18 H39 Cu N3 O4 S
• Title of publication: Enzyme-inspired catalysts with high activity and selectivity for oxidative polymerization of 2-phenylphenol
• Authors of publication: Nakano, Akiyuki; Raut, Vivek S.; Asao, Naoki; Ando, Akane; Fujisawa, Kiyoshi; Higashimura, Hideyuki
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 17
• Pages of publication: 4968 - 4977
• a: 10.2913 ± 0.0002 Å
• b: 16.4105 ± 0.0003 Å
• c: 13.1029 ± 0.0003 Å
• α: 90°
• β: 92.4886 ± 0.0018°
• γ: 90°
• Cell volume: 2210.8 ± 0.08 ų
• Cell temperature: 178 K
• Ambient diffraction temperature: 178 K
• Number of distinct elements: 6
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No