Information card for entry 2003480

Structure parameters

• Chemical name: Cyclohexylammonium D-3-phosphoglycerate monohydrate
• Formula: C9 H22 N O8 P
• Calculated formula: C9 H22 N O8 P
• Title of publication: Potassium <small>D</small>-3-Phosphoglycerate and Cyclohexylammonium <small>D</small>-3-Phosphoglycerate Hydrate
• Authors of publication: Lis, T.; Jerzykiewicz, L. B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 1001 - 1005
• a: 11.332 ± 0.006 Å
• b: 22.406 ± 0.011 Å
• c: 5.783 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1468.3 ± 1.3 ų
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1037
• Goodness-of-fit parameter for significantly intense reflections: 1.061
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No