Information card for entry 7155000

Structure parameters

• Formula: C25 H23 N O4 S
• Calculated formula: C25 H23 N O4 S
• SMILES: S(=O)(=O)(Nc1c(c(oc1c1ccccc1)C)c1ccc(OC)cc1)c1ccc(cc1)C
• Title of publication: Facile synthesis of substituted 3-aminofurans through a tandem reaction of N-sulfonyl-1,2,3-triazoles with propargyl alcohols.
• Authors of publication: Cheng, Xing; Yu, Yinghua; Mao, Zhifeng; Chen, Jianxin; Huang, Xueliang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 3878 - 3882
• a: 14.818 ± 0.003 Å
• b: 10.636 ± 0.002 Å
• c: 15.416 ± 0.003 Å
• α: 90°
• β: 113.84 ± 0.03°
• γ: 90°
• Cell volume: 2222.3 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1252
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No