Information card for entry 2236946

Structure parameters

• Chemical name: Morpholine-4-carboxamidinium ethyl carbonate
• Formula: C8 H17 N3 O4
• Calculated formula: C8 H17 N3 O4
• SMILES: C(=[NH2+])(N)N1CCOCC1.C(=O)([O-])OCC
• Title of publication: Morpholine-4-carboxamidinium ethyl carbonate
• Authors of publication: Tiritiris, Ioannis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3431
• a: 10.2163 ± 0.0005 Å
• b: 20.8874 ± 0.0009 Å
• c: 10.4616 ± 0.0005 Å
• α: 90°
• β: 109.505 ± 0.002°
• γ: 90°
• Cell volume: 2104.31 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes