Information card for entry 7251266

Structure parameters

• Formula: C14 H15 I N2 O4
• Calculated formula: C14 H15 I N2 O4
• Title of publication: Direct Electrocatalytic O-O Coupling for Modular Synthesis of Aza-cyclic Peroxides from Paired Oxygen Donors
• Authors of publication: Yu, Cong; Wang, Liwei; Bu, Xiaotong; Liao, Hui; Gao, Meng
• Journal of publication: Green Chemistry
• Year of publication: 2025
• a: 19.6028 ± 0.0019 Å
• b: 6.5055 ± 0.0006 Å
• c: 25.387 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3237.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0977
• Weighted residual factors for significantly intense reflections: 0.2722
• Weighted residual factors for all reflections included in the refinement: 0.291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No