Information card for entry 7156781

Structure parameters

• Formula: C20 H17 N3 O2 S
• Calculated formula: C20 H17 N3 O2 S
• Title of publication: Oxidative sulfonamidomethylation of imidazopyridines utilizing methanol as the main C1 source.
• Authors of publication: Zhao, Xue-Mei; Huang, En-Ling; Zhu, Yu-Shen; Li, Jing; Song, Bing; Zhu, Xinju; Hao, Xin-Qi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 4869 - 4878
• a: 7.316 ± 0.0002 Å
• b: 19.1755 ± 0.0005 Å
• c: 12.7269 ± 0.0005 Å
• α: 90°
• β: 103.311 ± 0.004°
• γ: 90°
• Cell volume: 1737.46 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.1988
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No