Information card for entry 7124543

Structure parameters

• Formula: C17 H17 N O5 S
• Calculated formula: C17 H17 N O5 S
• Title of publication: A cascade approach to 3D cyclic carbamates via an ionic decarboxylative functionalization of olefinic oxamic acids.
• Authors of publication: Fan, Huaqiang; Wan, Yi; Pan, Peng; Cai, Wenbin; Liu, Shihui; Liu, Chuanxu; Zhang, Yongqiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 86 - 89
• a: 20.25 ± 0.003 Å
• b: 21.622 ± 0.003 Å
• c: 15.041 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6585.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No