Information card for entry 7151635

Structure parameters

• Formula: C20 H20 Cl2 N2 Pd
• Calculated formula: C20 H20 Cl2 N2 Pd
• SMILES: [Pd]1(Cl)(Cl)[n]2ccccc2[C@H](c2ccccc2)[NH]1[C@@H](c1ccccc1)C
• Title of publication: Enantioselective Friedel-Crafts alkylation of indole derivatives catalyzed by new Yb(OTf)3-pyridylalkylamine complexes as chiral Lewis acids.
• Authors of publication: Grach, Guillaume; Dinut, Aurelia; Marque, Sylvain; Marrot, Jérôme; Gil, Richard; Prim, Damien
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 497 - 503
• a: 18.7436 ± 0.0005 Å
• b: 18.7436 ± 0.0005 Å
• c: 13.3951 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4075.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No