Information card for entry 1542474

Structure parameters

• Chemical name: Bis(morpholine-4-carboxamidinium) sulfate
• Formula: C10 H24 N6 O6 S
• Calculated formula: C10 H24 N6 O6 S
• SMILES: S(=O)(=O)([O-])[O-].O1CC[N+](=C(N)N)CC1.O1CC[N+](=C(N)N)CC1
• Title of publication: Morpholine-4-carboxamidinium sulfate
• Authors of publication: Tiritiris, Ioannis; Kantlehner, Willi
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 1
• Pages of publication: x160069
• a: 9.7194 ± 0.0003 Å
• b: 9.4737 ± 0.0003 Å
• c: 17.9416 ± 0.0008 Å
• α: 90°
• β: 105.386 ± 0.001°
• γ: 90°
• Cell volume: 1592.83 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes