Information card for entry 4037727

Structure parameters

• Formula: C19 H17 N3 O2 S
• Calculated formula: C19 H17 N3 O2 S
• SMILES: c1ccnc(n1)N1CCc2c1c(ccc2)S(=O)(=O)c1ccc(cc1)C
• Title of publication: Cu-Catalyzed Direct C7-Sulfonylation of Indolines with Arylsulfonyl Chlorides.
• Authors of publication: Zhi, Changlei; Wang, Qiuling; Liu, Shuang; Xue, Yuting; Shi, Linlin; Zhu, Xinju; Hao, Xin-Qi; Song, Mao-Ping
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 14.393 ± 0.0004 Å
• b: 7.2772 ± 0.0002 Å
• c: 16.8277 ± 0.0005 Å
• α: 90°
• β: 107.223 ± 0.003°
• γ: 90°
• Cell volume: 1683.51 ± 0.09 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: 0.0506
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No