Information card for entry 7115349

Structure parameters

• Formula: C37 H36 N O3 P Pd
• Calculated formula: C37 H36 N O3 P Pd
• SMILES: [Pd]12(c3ccc4ccccc4c3[C@H](C)[N]1(C)C)OC(=C[C@@H](c1ccccc1)[P]2(c1ccccc1)c1ccccc1)C(=O)OC
• Title of publication: Enantioselective phospha-Michael addition of diarylphosphines to beta,gamma-unsaturated alpha-ketoesters and amides
• Authors of publication: Renta Jonathan Chew; Kai Yuan Teo; Yinhua Huang; Bin-Bin Li; Yongxin Li; Sumod A. Pullarkat; Pak-Hing Leung
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 8768
• a: 10.0641 ± 0.0001 Å
• b: 11.7975 ± 0.0002 Å
• c: 26.192 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3109.81 ± 0.08 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• 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: 0.0278
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No