Information card for entry 4032343

Structure parameters

• Formula: C15 H10 Cl N O3
• Calculated formula: C15 H10 Cl N O3
• SMILES: Clc1ccc(NC(=O)C(=O)C(=O)c2ccccc2)cc1
• Title of publication: Oxidation of β-Ketoamides: The Synthesis of Vicinal Tricarbonyl Amides.
• Authors of publication: Liu, Yueyang; Zhang, Zhiguo; Wan, Yameng; Zhang, Guisheng; Li, Zhonglian; Bi, Jingjing; Ma, Nana; Liu, Tong-Xin; Liu, Qingfeng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 5.76624 ± 0.00017 Å
• b: 11.7165 ± 0.0003 Å
• c: 19.6213 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1325.62 ± 0.07 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No