Information card for entry 4129969

Structure parameters

• Formula: C24 H50 Co N2 Si2
• Calculated formula: C24 H50 Co N2 Si2
• SMILES: [Co]1([N](=C(C(=[N]1C1CCCCC1)C)C)C1CCCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.
• Authors of publication: Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 3
• Pages of publication: 766 - 769
• a: 12.3461 ± 0.0007 Å
• b: 13.3612 ± 0.0008 Å
• c: 17.5563 ± 0.0011 Å
• α: 90°
• β: 92.925 ± 0.002°
• γ: 90°
• Cell volume: 2892.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No