Information card for entry 1543734

Structure parameters

• Formula: C20 H17 N O4 S2
• Calculated formula: C20 H17 N O4 S2
• SMILES: c1ccccc1/C=C/N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
• Title of publication: Copper-catalyzed decarboxylative stereospecific amidation of cinnamic acids with N-fluorobenzenesulfonimide
• Authors of publication: Yang, Daoshan; Sun, Mingyang; Wei, Wei; Li, Jin; Sun, Pengfei; Zhang, Qingyun; Tian, Laijin; Wang, Hua
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 76
• Pages of publication: 72361 - 72365
• a: 14.0128 ± 0.0017 Å
• b: 8.8244 ± 0.0011 Å
• c: 16.431 ± 0.002 Å
• α: 90°
• β: 112.361 ± 0.002°
• γ: 90°
• Cell volume: 1879 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No