Information card for entry 2241292

Structure parameters

• Common name: tris(piperidinium) hydrogen sulfate sulfate
• Chemical name: Tris(piperidinium) hydrogen sulfate sulfate
• Formula: C15 H37 N3 O8 S2
• Calculated formula: C15 H37 N3 O8 S2
• SMILES: S(=O)(=O)([O-])O.S(=O)(=O)([O-])[O-].C1C[NH2+]CCC1.[NH2+]1CCCCC1.[NH2+]1CCCCC1
• Title of publication: Crystal structure of tris(piperidinium) hydrogen sulfate sulfate
• Authors of publication: Lukianova, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1444 - 1446
• a: 10.592 ± 0.004 Å
• b: 17.922 ± 0.005 Å
• c: 11.161 ± 0.004 Å
• α: 90°
• β: 99.25 ± 0.02°
• γ: 90°
• Cell volume: 2091.1 ± 1.2 ų
• Cell temperature: 100 ± 0.14 K
• Ambient diffraction temperature: 100 ± 0.14 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: 0.0541
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes