Information card for entry 7156360

Structure parameters

• Formula: C16 H14 Cl N O2
• Calculated formula: C16 H14 Cl N O2
• Title of publication: Palladium-catalyzed direct mono-aroylation of O-arylmethyl and aryl-substituted acetoxime ethers.
• Authors of publication: Shao, Ling-Yan; Xu, Zhi; Wang, Cun-Ying; Fu, Xiao-Pan; Chen, Miao-Miao; Liu, Hong-Wei; Ji, Ya-Fei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 6284 - 6294
• a: 10.1392 ± 0.0004 Å
• b: 10.1392 ± 0.0004 Å
• c: 28.1205 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2890.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No