Information card for entry 4038795

Structure parameters

• Formula: C20 H21 F3 N2 O7
• Calculated formula: C20 H21 F3 N2 O7
• Title of publication: Organocatalytic Asymmetric Tandem Cyclization/Michael Addition via Oxazol-5(2<i>H</i>)-One Formation: Access to Perfluoroalkyl-Containing <i>N</i>,<i>O</i>-Acetal Derivatives.
• Authors of publication: Li, Luyao; Yang, Tianxiao; Zhang, Tao; Zhu, Bo; Chang, Junbiao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 19
• Pages of publication: 12294 - 12303
• a: 7.13243 ± 0.00007 Å
• b: 12.32391 ± 0.00016 Å
• c: 29.4905 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2592.2 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0444
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No