Information card for entry 7120895

Structure parameters

• Formula: C17 H18 N2 O2 S
• Calculated formula: C17 H18 N2 O2 S
• SMILES: S(=O)(=O)(/N=C(N1CCc2ccccc12)\C)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: 7.4252 ± 0.0007 Å
• b: 9.8673 ± 0.001 Å
• c: 11.235 ± 0.0011 Å
• α: 77.187 ± 0.003°
• β: 79.103 ± 0.003°
• γ: 69.194 ± 0.003°
• Cell volume: 744.8 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No