Information card for entry 1503719

Structure parameters

• Formula: C44 H32 Br2 P2 Pd
• Calculated formula: C44 H32 Br2 P2 Pd
• SMILES: [Pd]1(Br)(Br)[P](c2c(c3c([P]1(c1ccccc1)c1ccccc1)ccc1ccccc31)c1ccccc1cc2)(c1ccccc1)c1ccccc1
• Title of publication: Stable preformed chiral palladium catalysts for the one-pot asymmetric reductive amination of ketones.
• Authors of publication: Rubio-Pérez, Laura; Pérez-Flores, F Javier; Sharma, Pankaj; Velasco, Luis; Cabrera, Armando
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 265 - 268
• a: 11.9124 ± 0.0003 Å
• b: 11.9124 ± 0.0003 Å
• c: 26.191 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3716.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No