Information card for entry 4037928

Structure parameters

• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: O(CC)C1(Oc2c(NC1=O)cccc2)C
• Title of publication: Sn-Catalyzed Criegee-Type Rearrangement of Peroxyoxindoles Enabled by Catalytic Dual Activation of Esters and Peroxides.
• Authors of publication: Chaudhari, Moreshwar Bhagwan; Jayan, Krishna; Gnanaprakasam, Boopathy
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 5.518 ± 0.009 Å
• b: 12.69 ± 0.02 Å
• c: 15.56 ± 0.03 Å
• α: 73.19 ± 0.05°
• β: 90°
• γ: 90°
• Cell volume: 1043 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2583
• Residual factor for significantly intense reflections: 0.1451
• Weighted residual factors for significantly intense reflections: 0.3266
• Weighted residual factors for all reflections included in the refinement: 0.4302
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No