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Information card for entry 2005581
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| Coordinates | 2005581.cif |
|---|---|
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
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