Information card for entry 1503261

Structure parameters

• Formula: C26 H34 Cl4 N O P Pd
• Calculated formula: C26 H34 Cl4 N O P Pd
• SMILES: c1(c(cc(cc1C)C)C)[P]1=C(c2ccccc2)C(C)(C)C2=[N]([C@H](CO2)C(C)C)[Pd]1(Cl)Cl.C(Cl)Cl
• Title of publication: Chiral phosphaalkene-oxazoline ligands for the palladium-catalyzed asymmetric allylic alkylation.
• Authors of publication: Dugal-Tessier, Julien; Dake, Gregory R.; Gates, Derek P.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 4667 - 4669
• a: 8.428 ± 0.005 Å
• b: 8.919 ± 0.005 Å
• c: 9.803 ± 0.005 Å
• α: 93.261 ± 0.005°
• β: 100.551 ± 0.005°
• γ: 95.576 ± 0.005°
• Cell volume: 718.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No