Information card for entry 2236944

Structure parameters

• Chemical name: Piperidine-1-carboxamidinium ethyl carbonate
• Formula: C9 H19 N3 O3
• Calculated formula: C9 H19 N3 O3
• SMILES: [NH2+]=C(N)N1CCCCC1.[O-]C(=O)OCC
• Title of publication: Piperidine-1-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: o3310
• a: 11.832 ± 0.0006 Å
• b: 7.2407 ± 0.0004 Å
• c: 13.3755 ± 0.0009 Å
• α: 90°
• β: 105.292 ± 0.003°
• γ: 90°
• Cell volume: 1105.33 ± 0.11 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: 0.0647
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes