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Information card for entry 2200458
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| Coordinates | 2200458.cif |
|---|---|
| Structure factors | 2200458.hkl |
| Original IUCr paper | HTML |
| Common name | R-thioproline |
|---|---|
| Chemical name | (R)-1,3-Thiazolidin-3-ium-4-carboxylate |
| Formula | C4 H7 N O2 S |
| Calculated formula | C4 H7 N O2 S |
| SMILES | S1C[C@H]([NH2+]C1)C(=O)[O-] |
| Title of publication | (<i>R</i>)-1,3-Thiazolidin-3-ium-4-carboxylate |
| Authors of publication | Grant, Neil; Ward, Mark F.; Jaspars, Marcel; Harrison, William T. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 8 |
| Pages of publication | o697 - o699 |
| a | 5.6733 ± 0.0003 Å |
| b | 9.9375 ± 0.0006 Å |
| c | 9.9407 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 560.44 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.032 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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