Information card for entry 7124544

Structure parameters

• Formula: C13 H15 N O3
• Calculated formula: C13 H15 N O3
• 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: 6.3499 ± 0.0004 Å
• b: 20.1527 ± 0.0014 Å
• c: 9.1657 ± 0.0007 Å
• α: 90°
• β: 96.921 ± 0.002°
• γ: 90°
• Cell volume: 1164.37 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0696
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No