Information card for entry 7159993

Structure parameters

• Formula: C32 H33 Co F6 N5 O6 S2
• Calculated formula: C32 H33 Co F6 N5 O6 S2
• Title of publication: A synthetically useful catalytic system for aliphatic C−H oxidation with a nonheme cobalt complex and m-CPBA
• Authors of publication: Wen, Xiang; Ma, Yidong; Chen, Jie; Wang, Bin
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 8.7317 ± 0.0002 Å
• b: 20.23 ± 0.0005 Å
• c: 21.9275 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3873.32 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No