Information card for entry 7120828

Structure parameters

• Formula: C17 H15 N O4
• Calculated formula: C17 H15 N O4
• Title of publication: Directed C-C Bond Cleavage of Cyclopropane Intermediate Generated from N-Tosylhydrazones and Stable Enaminones: Expedient Synthesis of Functionalized 1, 4–Ketoaldehydes
• Authors of publication: Ni, Meiyan; Zhang, Jianguo; Liang, Xiaoyu; Jiang, Yaojia; Loh, Teck Peng
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 6.3645 ± 0.0005 Å
• b: 14.4689 ± 0.0012 Å
• c: 15.7267 ± 0.0012 Å
• α: 90°
• β: 99.228 ± 0.003°
• γ: 90°
• Cell volume: 1429.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No