Information card for entry 7159425

Structure parameters

• Formula: C15 H25 N O2 S2
• Calculated formula: C15 H25 N O2 S2
• SMILES: S(=O)(N[C@H](CS(=O)c1ccccc1)C(C)C)C(C)(C)C
• Title of publication: Synthesis and characterization of enantiopure chiral NH₂/SO palladium complexes.
• Authors of publication: Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 28
• Pages of publication: 5827 - 5839
• a: 5.7979 ± 0.0003 Å
• b: 11.3878 ± 0.0006 Å
• c: 13.236 ± 0.0007 Å
• α: 90°
• β: 99.733 ± 0.002°
• γ: 90°
• Cell volume: 861.33 ± 0.08 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0315
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No