Information card for entry 4029566

Structure parameters

• Formula: C8 H8 N3 O3
• Calculated formula: C8 H8 N3 O3
• SMILES: n12c(C[C@H](NC1=O)C(=O)OC)cnc2
• Title of publication: Synthesis of carbamoyl azides from primary amines and carbon dioxide under mild conditions.
• Authors of publication: García-Egido, Eduardo; Fernandez-Suarez, Miryam; Muñoz, Luis
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2909 - 2911
• a: 7.421 ± 0.0009 Å
• b: 10.8708 ± 0.0013 Å
• c: 11.1847 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 902.29 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No