Information card for entry 4129970

Structure parameters

• Formula: C32 H54 B4 O8
• Calculated formula: C32 H54 B4 O8
• SMILES: B1(C(B2OC(C(C)(C)O2)(C)C)c2ccc(cc2)C(B2OC(C(O2)(C)C)(C)C)B2OC(C(C)(C)O2)(C)C)OC(C(O1)(C)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: 10.1386 ± 0.0006 Å
• b: 10.3429 ± 0.0005 Å
• c: 16.9441 ± 0.0008 Å
• α: 90°
• β: 97.22 ± 0.003°
• γ: 90°
• Cell volume: 1762.71 ± 0.16 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: 0.0666
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No