Information card for entry 7131575

Structure parameters

• Formula: C20 H23 N3 O8
• Calculated formula: C20 H23 N3 O8
• Title of publication: Catalytic asymmetric <i>de novo</i> construction of 4-pyrrolin-2-ones <i>via</i> intermolecular formal [3+2] cycloaddition of azoalkenes with azlactones.
• Authors of publication: Mo, Nan-Nan; Miao, Yu-Hang; Xiao, Xiao; Hua, Yuan-Zhao; Wang, Min-Can; Huang, Lihua; Mei, Guang-Jian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 39
• Pages of publication: 5902 - 5905
• a: 21.0745 ± 0.0007 Å
• b: 12.0391 ± 0.0004 Å
• c: 9.3014 ± 0.0003 Å
• α: 90°
• β: 107.027 ± 0.003°
• γ: 90°
• Cell volume: 2256.49 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No