Information card for entry 4106629

Structure parameters

• Formula: C43 H43 B O2 P2 Pd Si
• Calculated formula: C43 H43 B O2 P2 Pd Si
• Title of publication: Efficient Synthesis of Diborylalkenes from Alkenes and Diboron by a New PSiP-Pincer Palladium-Catalyzed Dehydrogenative Borylation
• Authors of publication: Jun Takaya; Naohiro Kirai; Nobuharu Iwasawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12980 - 12983
• a: 8.5513 ± 0.0006 Å
• b: 22.4101 ± 0.0016 Å
• c: 32.205 ± 0.003 Å
• α: 82.629 ± 0.003°
• β: 85.393 ± 0.003°
• γ: 79.455 ± 0.003°
• Cell volume: 6007 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No