Information card for entry 7120894

Structure parameters

• Formula: C17 H18 N2 O2 S
• Calculated formula: C17 H18 N2 O2 S
• SMILES: S(=O)(=O)(/N=C1/N(CCC1)c1ccccc1)c1ccc(C)cc1
• Title of publication: Interception of Amide Ylides with Sulfonamides: Synthesis of (E)-N-Sulfonyl Amidines Catalyzed by Zn(OTf)2
• Authors of publication: Wan, Xiaobing; Chen, Jijun; Long, Wenhao; Fang, Shangwen; Yang, Yonggang
• Journal of publication: Chemical Communications
• Year of publication: 2017
• a: 12.364 ± 0.0007 Å
• b: 7.4331 ± 0.0004 Å
• c: 16.5987 ± 0.0009 Å
• α: 90°
• β: 105.575 ± 0.002°
• γ: 90°
• Cell volume: 1469.45 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No