Information card for entry 4107539

Structure parameters

• Formula: C24 H45 B Cl N O P2 Pd
• Calculated formula: C24 H45 B Cl N O P2 Pd
• SMILES: [Pd](C(c1ccccc1)=C1CC(OB1N(C(C)C)C(C)C)(C)C)(Cl)([P](C)(C)C)[P](C)(C)C
• Title of publication: Palladium-Catalyzed trans- and cis-Carboboration of Alkynes Tethered to Chloroborane with Organozirconium Reagents: Ligand-Dependent Complementary Stereoselectivity
• Authors of publication: Masaki Daini; Akihiko Yamamoto; Michinori Suginome
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2918 - 2919
• a: 12.352 ± 0.003 Å
• b: 18.73 ± 0.005 Å
• c: 13.332 ± 0.004 Å
• α: 90°
• β: 107.041 ± 0.01°
• γ: 90°
• Cell volume: 2949 ± 1.4 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for all reflections included in the refinement: 0.0266
• Goodness-of-fit parameter for all reflections included in the refinement: 2.319
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No