Information card for entry 4038170

Structure parameters

• Formula: C12 H18 N2 O4 S2
• Calculated formula: C12 H18 N2 O4 S2
• SMILES: S(=O)(=O)(N(C(=Cc1ccccc1)N(S(=O)(=O)C)C)C)C
• 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: 6.947 ± 0.0003 Å
• b: 14.4082 ± 0.0007 Å
• c: 15.4652 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1547.97 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No