Information card for entry 7158663

Structure parameters

• Formula: C13 H15 N O2
• Calculated formula: C13 H15 N O2
• Title of publication: Iodine-TBHP mediated efficient synthesis of α-ketoamides from vinyl azides and amines under mild conditions.
• Authors of publication: Bhukta, Swadhapriya; Chatterjee, Rana; Dandela, Rambabu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 19
• Pages of publication: 3907 - 3912
• a: 9.581 ± 0.001 Å
• b: 11.381 ± 0.001 Å
• c: 10.941 ± 0.001 Å
• α: 90°
• β: 103.15 ± 0.02°
• γ: 90°
• Cell volume: 1161.7 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.069
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No