Information card for entry 7152657

Structure parameters

• Formula: C28 H42 Cl2 Pd2
• Calculated formula: C28 H42 Cl2 Pd2
• SMILES: [Pd]123([Cl][Pd]45([Cl]1)[CH]1=[C]4(C5CC(C)C)[C@@H]4C[C@H](C1)C4(C)C)[CH]1=[C]2(C3CC(C)C)[C@@H]2C[C@H](C1)C2(C)C
• Title of publication: Enantioselective allylation of imines catalyzed by newly developed (-)-β-pinene-based π-allylpalladium catalyst: an efficient synthesis of (R)-α-propylpiperonylamine and (R)-pipecolic acid.
• Authors of publication: Fernandes, Rodney A.; Nallasivam, Jothi L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 38
• Pages of publication: 7789 - 7800
• a: 7.2879 ± 0.0001 Å
• b: 18.6931 ± 0.0003 Å
• c: 21.3386 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2907.03 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.029
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No