Information card for entry 2003479

Structure parameters

• Chemical name: potassium D-3-phosphoglycerate
• Formula: C3 H6 K O7 P
• Calculated formula: C3 H6 K O7 P
• SMILES: [K+].P(=O)(OC[C@@H](O)C(=O)O)([O-])O
• 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: 7.349 ± 0.003 Å
• b: 7.535 ± 0.003 Å
• c: 14.539 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 805.1 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0313
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for all reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.0703
• Goodness-of-fit parameter for all reflections: 1.123
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No