Information card for entry 7244948

Structure parameters

• Formula: C22 H17 N O2 S
• Calculated formula: C22 H17 N O2 S
• SMILES: S(=O)(=O)(c1cc2ccccc2nc1c1ccccc1)c1ccc(cc1)C
• Title of publication: An approach for the synthesis of 2-aryl-3-sulfonyl substituted quinolines through an electrochemical cascade annulation pathway
• Authors of publication: Ma, Qiang; Li, Ming; Chen, Zhuo; Ni, Shao-Fei; Wright, James S.; Wen, Li-Rong; Zhang, Lin-Bao
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 11
• Pages of publication: 4425 - 4431
• a: 12.5262 ± 0.0004 Å
• b: 5.4497 ± 0.0002 Å
• c: 25.0014 ± 0.0009 Å
• α: 90°
• β: 93.991 ± 0.003°
• γ: 90°
• Cell volume: 1702.56 ± 0.1 ų
• Cell temperature: 170.01 ± 0.1 K
• Ambient diffraction temperature: 170.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No