Information card for entry 1517303

Structure parameters

• Formula: C25 H26 Br2 Cl2 N O P Pd
• Calculated formula: C25 H26 Br2 Cl2 N O P Pd
• SMILES: [Pd]1(Br)(Br)[P](c2c(C3OC[C@H]([N]1=3)C(C)C)cccc2)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 10.2832 ± 0.0009 Å
• b: 12.9507 ± 0.0012 Å
• c: 10.9322 ± 0.001 Å
• α: 90°
• β: 112.013 ± 0.001°
• γ: 90°
• Cell volume: 1349.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No