Information card for entry 7219628

Structure parameters

• Formula: C15 H18 Br N O4 S
• Calculated formula: C15 H18 Br N O4 S
• SMILES: Brc1c([C@H]2SC[C@H](N2C(=O)OC(C)(C)C)C(=O)O)cccc1
• Title of publication: Synthesis, Characterization and Antibacterial Activities of N-tert-Butoxycarbonyl-Thiazolidine Carboxylic Acid
• Authors of publication: Song, Zhong-Cheng; Ma, Gao-Yuan; Zhu, Hai-Liang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.485 ± 0.002 Å
• b: 6.602 ± 0.0013 Å
• c: 12.803 ± 0.003 Å
• α: 90°
• β: 103.81 ± 0.03°
• γ: 90°
• Cell volume: 860.6 ± 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: 0.0732
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No