Information card for entry 2200458

Structure parameters

• 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 ų
• 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