Information card for entry 7121909

Structure parameters

• Formula: C20 H23 N O4
• Calculated formula: C20 H23 N O4
• Title of publication: Thermally induced formal [4+2] cycloaddition of 3-aminocyclobutenones with electron-deficient alkynes: facile and efficient synthesis of 4-pyridones.
• Authors of publication: Yu, Yang; Zhang, Yan; Xiao, Li-Yun; Peng, Qin-Qin; Zhao, Yu-Long
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 59
• Pages of publication: 8229 - 8232
• a: 10.4449 ± 0.0013 Å
• b: 8.4856 ± 0.0011 Å
• c: 21.461 ± 0.003 Å
• α: 90°
• β: 99.489 ± 0.005°
• γ: 90°
• Cell volume: 1876.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0912
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No