Information card for entry 1517301

Structure parameters

• Formula: C48 H40 Br2 P2 Pd
• Calculated formula: C48 H40 Br2 P2 Pd
• SMILES: [Pd]1(Br)(Br)[P](c2c(c3ccccc3cc2)c2c([P]1(c1ccc(cc1)C)c1ccc(cc1)C)ccc1ccccc21)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes
• Authors of publication: Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 2626
• a: 11.5105 ± 0.0012 Å
• b: 14.3683 ± 0.0015 Å
• c: 25.09 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4149.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No