Information card for entry 4038169

Structure parameters

• Formula: C20 H24 N2 O4 S2
• Calculated formula: C20 H24 N2 O4 S2
• SMILES: S(=O)(=O)(c1ccc(C)cc1)N1C=CN(S(=O)(=O)c2ccc(cc2)C)CCCC1
• Title of publication: Access to (Z)-1,2-Endiamides and 1,1-Endiamides via a Base-Promoted Tandem Reaction.
• Authors of publication: Zhang, Zhenming; Fu, Bei; Wang, Hui; Chen, Han; Tu, Yongliang; Zhao, Junfeng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 17.2491 ± 0.001 Å
• b: 7.725 ± 0.0003 Å
• c: 16.6517 ± 0.001 Å
• α: 90°
• β: 115.121 ± 0.007°
• γ: 90°
• Cell volume: 2009 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No