Information card for entry 7159427

Structure parameters

• Formula: C20 H29 N O3 S2
• Calculated formula: C20 H29 N O3 S2
• SMILES: S(=O)(N[C@H](CS(=O)(=O)C(C)(C)C)c1cc2ccccc2cc1)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: 6.0258 ± 0.0004 Å
• b: 17.9919 ± 0.0012 Å
• c: 9.501 ± 0.0006 Å
• α: 90°
• β: 99.556 ± 0.002°
• γ: 90°
• Cell volume: 1015.76 ± 0.12 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: 0.0617
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No