Information card for entry 7056784

Structure parameters

• Formula: C15 H17 Cl2 N O4 S
• Calculated formula: C15 H17 Cl2 N O4 S
• SMILES: Clc1c([C@H]2SC[C@H](N2C(=O)OC(C)(C)C)C(=O)O)c(Cl)ccc1
• Title of publication: X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids
• Authors of publication: Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 1078
• a: 9.4352 ± 0.0011 Å
• b: 10.4526 ± 0.0012 Å
• c: 18.336 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1808.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No