Information card for entry 7119724

Structure parameters

• Formula: C14 H15 N O4
• Calculated formula: C14 H15 N O4
• Title of publication: I2-Promoted formal [3+2] cycloaddition of α-methylenyl isocyanides with methyl ketones: a route to 2,5-disubstituted oxazoles.
• Authors of publication: Wu, Xia; Geng, Xiao; Zhao, Peng; Zhang, Jingjing; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 3438 - 3441
• a: 14.388 ± 0.003 Å
• b: 6.6658 ± 0.0013 Å
• c: 14.112 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1353.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2062
• Weighted residual factors for all reflections included in the refinement: 0.246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No