Information card for entry 7061387

Structure parameters

• Formula: C24 H23 Cl N2 O6
• Calculated formula: C24 H23 Cl N2 O6
• SMILES: Clc1ccc(O)c(c1)C(=O)c1c[nH]c(=O)c(c1)c1cc(OC)ccc1NC(=O)OC(C)(C)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: 7.0463 ± 0.0004 Å
• b: 10.8325 ± 0.0007 Å
• c: 15.8212 ± 0.0015 Å
• α: 92.2 ± 0.007°
• β: 101.856 ± 0.007°
• γ: 108.128 ± 0.006°
• Cell volume: 1116.38 ± 0.15 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2324
• Weighted residual factors for all reflections included in the refinement: 0.2447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No