Information card for entry 4038652

Structure parameters

• Formula: C23 H28 Br N O5
• Calculated formula: C23 H28 Br N O5
• Title of publication: Manganese-Catalyzed Synthesis of Quaternary Peroxides: Application in Catalytic Deperoxidation and Rearrangement Reactions.
• Authors of publication: Ubale, Akash; Chaudhari, Moreshwar Bhagwan; Shaikh, Moseen A.; Gnanaprakasam, Boopathy
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 10.671 ± 0.0006 Å
• b: 22.8755 ± 0.0015 Å
• c: 9.5065 ± 0.0006 Å
• α: 90°
• β: 92.152 ± 0.004°
• γ: 90°
• Cell volume: 2318.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1205
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.1986
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No