Information card for entry 4025544

Structure parameters

• Formula: C32 H25 Cl2 N P2 Pd
• Calculated formula: C32 Cl2 N P2 Pd
• SMILES: [Pd]1([P](c2cccc3ccn([P]1(c1ccccc1)c1ccccc1)c23)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: A Novel, Air-Stable Phosphine Ligand for the Palladium-Catalyzed Suzuki-Miyaura Cross-Coupling Reaction of Chloro Arenes
• Authors of publication: Raju Ghosh; N. N. Adarsh; Amitabha Sarkar
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 5320 - 5322
• a: 9.989 ± 0.005 Å
• b: 15.244 ± 0.008 Å
• c: 10.041 ± 0.005 Å
• α: 90°
• β: 112.051 ± 0.006°
• γ: 90°
• Cell volume: 1417.1 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.2856
• Weighted residual factors for all reflections included in the refinement: 0.2897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No