Information card for entry 7226263

Structure parameters

• Chemical name: 2-(((propan-2-ylideneamino)oxy)methyl)phenyl benzoate
• Formula: C17 H17 N O3
• Calculated formula: C17 H17 N O3
• SMILES: N(=C(C)C)OCc1ccccc1OC(=O)c1ccccc1
• Title of publication: Pd-Catalyzed Direct Oxidative mono-Aroyloxylation of O-Aralkyl Substituted Acetoxime Ethers
• Authors of publication: Ji, Yafei; Shao, Ling-Yan; Li, Chao; Guo, Ying; Yu, Kun-Kun; Zhao, Fei-Yi; Qiao, Wen-Li; Liu, Hong-Wei; Liao, Dao-Hua
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.049 ± 0.003 Å
• b: 7.1678 ± 0.0019 Å
• c: 35.147 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3035.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0913
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1661
• 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: No
• Has Fobs: No