Information card for entry 4112801

Structure parameters

• Formula: C23 H39 B Cl3 Co F4 Si2
• Calculated formula: C23 H39 B Cl3 Co F4 Si2
• SMILES: [Co]12345678([CH]9=[C]1([Si](C)(C)C)[C]2([Si](C)(C)C)=[CH]3C4CC9)[c]1([cH]5[cH]6[cH]7[cH]81)C(C)(C)C.[B](F)(F)(F)[F-].ClC(Cl)Cl
• Title of publication: Cobalt-Mediated Two-Carbon Ring Expansion of Five-Membered Rings. Electrophilic Carbon-Carbon Bond Activation in the Synthesis of Seven-Membered Rings
• Authors of publication: Trevor L. Dzwiniel; Jeffrey M. Stryker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 9184 - 9185
• a: 10.0706 ± 0.0015 Å
• b: 11.0942 ± 0.0019 Å
• c: 13.396 ± 0.002 Å
• α: 92.638 ± 0.013°
• β: 96.004 ± 0.012°
• γ: 95.3 ± 0.013°
• Cell volume: 1479.8 ± 0.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1392
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No