Information card for entry 4125582

Structure parameters

• Formula: C25 H40 B2 O6
• Calculated formula: C25 H40 B2 O6
• Title of publication: Benzyltriboronates: Building Blocks for Diastereoselective Carbon-Carbon Bond Formation.
• Authors of publication: Palmer, W. Neil; Zarate, Cayetana; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 7
• Pages of publication: 2589 - 2592
• a: 10.7916 ± 0.0006 Å
• b: 12.1449 ± 0.0007 Å
• c: 19.7733 ± 0.0011 Å
• α: 90°
• β: 91.615 ± 0.002°
• γ: 90°
• Cell volume: 2590.5 ± 0.3 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: 0.0593
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No