Information card for entry 7704042

Structure parameters

• Formula: C37 H41 N3 O4 Pd S2
• Calculated formula: C37 H41 N3 O4 Pd S2
• SMILES: [Pd]1(/C=C\S(=O)(=O)c2ccc(cc2)C)([n]2c(cccc2)CN2C=1N(c1c(C(C)C)cccc1C(C)C)C=C2)S(=O)(=O)c1ccc(C)cc1
• Title of publication: Chemoselective oxidative addition of vinyl sulfones mediated by palladium complexes bearing picolyl-N-heterocyclic carbene ligands.
• Authors of publication: Scattolin, Thomas; Santo, Claudio; Demitri, Nicola; Canovese, Luciano; Visentin, Fabiano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 5684 - 5694
• a: 15.158 ± 0.003 Å
• b: 11.271 ± 0.002 Å
• c: 20.489 ± 0.004 Å
• α: 90°
• β: 95.62 ± 0.03°
• γ: 90°
• Cell volume: 3483.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No