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Information card for entry 2011123
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| Coordinates | 2011123.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Lithium phosphoenolpyruvate monohydrate |
|---|---|
| Formula | C3 H6 Li O7 P |
| Calculated formula | C3 H6 Li O7 P |
| SMILES | [Li+].P(=O)(O)([O-])OC(=C)C(=O)O.O |
| Title of publication | Lithium phosphoenolpyruvate monohydrate at 85K |
| Authors of publication | Zych, Tomasz; Turowska-Tyrk, Ilona; Lis, Tadeusz |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 7 |
| Pages of publication | 818 - 819 |
| a | 5.2281 ± 0.0007 Å |
| b | 5.5511 ± 0.0007 Å |
| c | 12.009 ± 0.001 Å |
| α | 94.59 ± 0.01° |
| β | 90.36 ± 0.01° |
| γ | 94.91 ± 0.01° |
| Cell volume | 346.1 ± 0.07 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for all reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections | 1.16 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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