Information card for entry 1503895

Structure parameters

• Formula: C26 H28 Cl2 N O P Pd
• Calculated formula: C26 H28 Cl2 N O P Pd
• SMILES: [Pd]1(Cl)(Cl)[N]2[C@H](C(OC=2c2ccccc2[P]1(c1ccccc1)c1ccccc1)(C)C)C(C)C
• 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: 8.7523 ± 0.0006 Å
• b: 10.4027 ± 0.0007 Å
• c: 27.1256 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2469.7 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0206
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No