Information card for entry 2005581

Structure parameters

• Common name: ammonium D,L-glycerate
• Chemical name: ammonium D,L-glycerate
• Formula: C3 H9 N O4
• Calculated formula: C3 H9 N O4
• SMILES: [NH4+].[O-]C(=O)C(O)CO
• Title of publication: Ammonium, Potassium and Lithium Salts of D, <small>L</small>-Glyceric Acid
• Authors of publication: Popek, T.; Lis, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2716 - 2720
• a: 4.81 ± 0.003 Å
• b: 11.175 ± 0.005 Å
• c: 10.887 ± 0.005 Å
• α: 90°
• β: 102.41 ± 0.04°
• γ: 90°
• Cell volume: 571.5 ± 0.5 ų
• Cell temperature: 300 ± 1 K
• Ambient diffraction temperature: 300 ± 1 K
• Number of distinct elements: 4
• 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: 0.1209
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections: 0.1127
• Weighted residual factors for significantly intense reflections: 0.0957
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for significantly intense reflections: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No