Information card for entry 7157304

Structure parameters

• Formula: C20 H21 N O7
• Calculated formula: C20 H21 N O7
• Title of publication: Substituent-controlled chemoselective synthesis of multi-substituted pyridones via a one-pot three-component cascade reaction.
• Authors of publication: Liu, Shitao; Li, Jisen; Lin, Junjie; Liu, Fujun; Liu, Teng; Huang, Chao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1130 - 1134
• a: 20.3966 ± 0.0005 Å
• b: 5.584 ± 0.0001 Å
• c: 17.313 ± 0.0004 Å
• α: 90°
• β: 108.569 ± 0.001°
• γ: 90°
• Cell volume: 1869.2 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No