Information card for entry 7056785

Structure parameters

• Formula: C15 H19 N O5 S
• Calculated formula: C15 H19 N O5 S
• SMILES: S1[C@@H](N([C@@H](C1)C(=O)O)C(=O)OC(C)(C)C)c1c(O)cccc1
• 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: 22.5029 ± 0.0005 Å
• b: 22.5029 ± 0.0005 Å
• c: 6.4423 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3262.26 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No