Information card for entry 7159638

Structure parameters

• Formula: C11 H11 N O4 S
• Calculated formula: C11 H11 N O4 S
• Title of publication: Palladium-catalyzed [4 + 2] cycloaddition of 2-methylidenetrimethylene carbonate or methylene cyclic carbamate with sulfamate-derived cyclic imines.
• Authors of publication: Sun, Li; Li, Jiyu; Wu, Yafei; Li, Ying; Chen, Junqi; Xia, Xiaoye; Yuan, Chunhao; Guo, Hongchao; Mao, Biming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 40
• Pages of publication: 8107 - 8111
• a: 12.9083 ± 0.0011 Å
• b: 8.1492 ± 0.0007 Å
• c: 20.8706 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2195.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No