Information card for entry 7160244

Structure parameters

• Formula: C17 H13 N2 O4 S
• Calculated formula: C17 H13 N2 O4 S
• Title of publication: Cu(II)-catalyzed synthesis of <i>N</i>-sulfonated quinolin-2(1<i>H</i>)-one-3-carboxamides.
• Authors of publication: Chen, Xue; Fang, Shi-Jie; Zhou, Quan; Huang, Wei; Liu, Qiu-Lan; Wang, Lei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• a: 20.643 ± 0.006 Å
• b: 5.4637 ± 0.0013 Å
• c: 28.909 ± 0.006 Å
• α: 90°
• β: 103.269 ± 0.009°
• γ: 90°
• Cell volume: 3173.5 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No