Information card for entry 1508371

Structure parameters

• Formula: C5 H17 N2 O4 P
• Calculated formula: C5 H17 N2 O4 P
• SMILES: P(=O)([O-])[O-].[NH2+]1CC[NH2+]C[C@@H]1C.O
• Title of publication: Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2 HPO3 H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2 HPO3 2 23H2O
• Authors of publication: Harrison, William T. A.
• Journal of publication: Crystals
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 236 - 243
• a: 8.564 ± 0.005 Å
• b: 9.593 ± 0.006 Å
• c: 11.607 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 953.6 ± 1 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: 0.1598
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.785
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No