Information card for entry 7219668

Structure parameters

• Formula: C18 H18 N2 O4 S
• Calculated formula: C18 H18 N2 O4 S
• SMILES: S(=O)(=O)(N1CCc2cccc(c12)CC(=C)C(=O)OC)c1ncccc1
• Title of publication: Palladium-Catalyzed C-7 Alkenylation of Indolines Using Molecular Oxygen as the Sole Oxidant
• Authors of publication: Yang, Dong; Mao, Shuai; Gao, Ya-Ru; Guo, Dong-Dong; Guo, Shi-Huan; Li, Bin; Wang, Yong-Qiang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.0332 ± 0.0018 Å
• b: 10.971 ± 0.002 Å
• c: 17.316 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1716.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0343
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No