Information card for entry 1503718

Structure parameters

• Chemical name: cis-(Dibromo)-[(2S,3S)-bis(diphenylphosphino)butane]-palladium(ii)
• Formula: C28 H28 Br2 P2 Pd
• Calculated formula: C28 H28 Br2 P2 Pd
• SMILES: [Pd]1(Br)(Br)[P]([C@@H](C)[C@@H]([P]1(c1ccccc1)c1ccccc1)C)(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: 9.1374 ± 0.0004 Å
• b: 16.5065 ± 0.0008 Å
• c: 18.0121 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2716.7 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No