Information card for entry 7158019

Structure parameters

• Formula: C15 H10 I N O3
• Calculated formula: C15 H10 I N O3
• Title of publication: I₂-DMSO mediated oxidative amidation of methyl ketones with anthranils for the synthesis of α-ketoamides.
• Authors of publication: Zhuang, Shi-Yi; Tang, Yong-Xing; Chen, Xiang-Long; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 4258 - 4262
• a: 7.7449 ± 0.0012 Å
• b: 16.862 ± 0.003 Å
• c: 21.49 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2806.5 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No