Information card for entry 1573533

Structure parameters

• Formula: C7 H9 N O S3
• Calculated formula: C7 H9 N O S3
• Title of publication: Novel enantiopure δ-thiolactones: synthesis, structural characterization, and reactivity studies.
• Authors of publication: Rodríguez Saravia, Magdalena; Martínez, Verónica; Vairoletti, Franco; Macías, Mario; Davyt, Danilo; Hernández Dossi, Gonzalo; Mahler, Graciela
• Journal of publication: RSC advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 54
• Pages of publication: 40287 - 40298
• a: 11.4682 ± 0.0005 Å
• b: 5.3017 ± 0.0003 Å
• c: 15.1947 ± 0.0007 Å
• α: 90°
• β: 91.9 ± 0.002°
• γ: 90°
• Cell volume: 923.34 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No