Information card for entry 7156699

Structure parameters

• Formula: C48 H84 O10 Si2
• Calculated formula: C48 H84 O10 Si2
• Title of publication: Diastereoselectivity in the boron aldol reaction of α-alkoxy and α,β-bis-alkoxy methyl ketones.
• Authors of publication: Fernandes, Alessandra A. G.; Leonarczyk, Ives A.; Ferreira, Marco A. B.; Dias, Luiz Carlos
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 3167 - 3180
• a: 6.873 ± 0.0007 Å
• b: 18.4289 ± 0.0018 Å
• c: 20.6056 ± 0.0019 Å
• α: 85.901 ± 0.005°
• β: 88.492 ± 0.005°
• γ: 84.225 ± 0.005°
• Cell volume: 2589.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No