Information card for entry 7123784

Structure parameters

• Formula: C20 H17 N O5
• Calculated formula: C20 H17 N O5
• Title of publication: Enantioselective Dearomative [3+2] Cycloaddition of 2-Nitrobenzofurans with Aldehyde-Derived Morita−Baylis−Hillman Carbonates
• Authors of publication: Guo, Hai-Ming; Yang, Xin-He; Li, Jianping; Wang, Dong-Chao; Xie, Ming-Sheng; Qu, Gui-Rong
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.0883 ± 0.0001 Å
• b: 9.0883 ± 0.0001 Å
• c: 41.3484 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3415.26 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2148
• Weighted residual factors for all reflections included in the refinement: 0.2155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No