Information card for entry 2219553

Structure parameters

• Chemical name: L-Argininium ethyl sulfate
• Formula: C8 H20 N4 O6 S
• Calculated formula: C8 H20 N4 O6 S
• SMILES: S(=O)(=O)(OCC)[O-].O=C([O-])[C@@H]([NH3+])CCCNC(=[NH2+])N
• Title of publication: <small>L</small>-Argininium ethyl sulfate
• Authors of publication: Karapetyan, Harutyun A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1982
• a: 9.1504 ± 0.0018 Å
• b: 12.519 ± 0.003 Å
• c: 12.551 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1437.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0985
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes