Information card for entry 2227532

Structure parameters

• Chemical name: 3-(<i>tert</i>-Butoxycarbonyl)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
• Formula: C15 H18 Cl N O4 S
• Calculated formula: C15 H18 Cl N O4 S
• SMILES: c1cc(ccc1[C@@H]1N([C@@H](CS1)C(=O)O)C(=O)OC(C)(C)C)Cl
• Title of publication: 3-(<i>tert</i>-Butoxycarbonyl)-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
• Authors of publication: Ding, Shu-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2633
• a: 6.46 ± 0.0013 Å
• b: 10.641 ± 0.002 Å
• c: 12.411 ± 0.003 Å
• α: 90°
• β: 94.52 ± 0.03°
• γ: 90°
• Cell volume: 850.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes