Information card for entry 7061388

Structure parameters

• Formula: C24 H24 N2 O6
• Calculated formula: C24 H24 N2 O6
• SMILES: O(c1cc(c(O)cc1)C(=O)c1cc(c(=O)[nH]c1)c1c(NC(=O)OC(C)(C)C)cccc1)C
• Title of publication: 3-Vinyl oxindole-chromone synthon as a skeletal reconstruction reactant for the synthesis of 2-hydroxy benzoyl pyridones
• Authors of publication: Zhang, Lei; Liu, Ren-Ming; Wang, Wei-Na; Liu, Xiong-Li; Dai, Yi-Feng; Yu, Zhang-Biao; Peng, Li-Jun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 5474 - 5478
• a: 9.3858 ± 0.0003 Å
• b: 25.0398 ± 0.0005 Å
• c: 9.6706 ± 0.0002 Å
• α: 90°
• β: 109.796 ± 0.003°
• γ: 90°
• Cell volume: 2138.46 ± 0.1 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.043
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No