Information card for entry 4082435

Structure parameters

• Formula: C22 H20 O2 S
• Calculated formula: C22 H20 O2 S
• SMILES: S(=O)(=O)([C@H](/C=C/c1ccccc1)c1ccccc1)c1ccc(cc1)C
• Title of publication: Efficient Palladium Catalysts Containing Original Imidazolium-Tagged Chiral Diamidophosphite Ligands for Asymmetric Allylic Substitutions in Neat Ionic Liquid
• Authors of publication: Bravo, Maritza J.; Favier, Isabelle; Saffon, Nathalie; Ceder, Rosa M.; Muller, Guillermo; Gómez, Montserrat; Rocamora, Mercè
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 3
• Pages of publication: 771
• a: 17.3438 ± 0.0017 Å
• b: 5.6276 ± 0.0005 Å
• c: 19.2987 ± 0.0017 Å
• α: 90°
• β: 102.982 ± 0.004°
• γ: 90°
• Cell volume: 1835.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No