Information card for entry 4129971

Structure parameters

• Formula: C32 H54 B4 O8
• Calculated formula: C32 H54 B4 O8
• 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: 15.2146 ± 0.0006 Å
• b: 10.8264 ± 0.0004 Å
• c: 22.5475 ± 0.0008 Å
• α: 90°
• β: 109.475 ± 0.001°
• γ: 90°
• Cell volume: 3501.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0668
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No