Information card for entry 1503896

Structure parameters

• Formula: C28 H32 Cl8 N O P Pd
• Calculated formula: C28 H32 Cl8 N O P Pd
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)c2c(cccc2)C2=[N]1[C@H](CO2)C(C)(C)C)(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Use of 5,5-(dimethyl)-i-Pr-PHOX as a practical equivalent to t-Bu-PHOX in asymmetric catalysis.
• Authors of publication: Bélanger, Etienne; Pouliot, Marie-France; Paquin, Jean-François
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2201 - 2204
• a: 10.466 ± 0.0006 Å
• b: 11.7421 ± 0.0007 Å
• c: 27.8012 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3416.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0497
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No