Information card for entry 4131885

Structure parameters

• Formula: C36 H60 B6 O12
• Calculated formula: C36 H60 B6 O12
• Title of publication: Carbohydrate/DBU Cocatalyzed Alkene Diboration: Mechanistic Insight Provides Enhanced Catalytic Efficiency and Substrate Scope.
• Authors of publication: Yan, Lu; Meng, Yan; Haeffner, Fredrik; Leon, Robert M.; Crockett, Michael P.; Morken, James P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 10
• Pages of publication: 3663 - 3673
• a: 10.9587 ± 0.0004 Å
• b: 19.3545 ± 0.0007 Å
• c: 19.5983 ± 0.0009 Å
• α: 90°
• β: 96.063 ± 0.002°
• γ: 90°
• Cell volume: 4133.6 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No