Information card for entry 7131825

Structure parameters

• Formula: C15 H31 Br O3 Si
• Calculated formula: C15 H31 Br O3 Si
• Title of publication: Construction of three contiguous stereocenters through amine-catalyzed asymmetric aldol reactions.
• Authors of publication: Hikawa, Ryoga; Shimogaki, Mio; Kano, Taichi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 54
• Pages of publication: 8424 - 8427
• a: 13.5084 ± 0.0003 Å
• b: 8.3024 ± 0.0001 Å
• c: 26.1715 ± 0.0005 Å
• α: 90°
• β: 102.594 ± 0.007°
• γ: 90°
• Cell volume: 2864.57 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No