Information card for entry 1577243

Structure parameters

• Formula: C20 H24 O2
• Calculated formula: C20 H24 O2
• Title of publication: Stereoselective, Borane-catalysed Synthesis of syn-β-Hydroxyketones from α,β-Unsaturated Ketones
• Authors of publication: Macleod, Julie; Nimmo, Alastair; Cockcroft, Joseph; Dominguez-Molano, Paula; Nichol, Gary Stephen; Thomas, Stephen P.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 7.83692 ± 0.00003 Å
• b: 12.51912 ± 0.00004 Å
• c: 16.8391 ± 0.00005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1652.11 ± 0.01 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0068
• Residual factor for significantly intense reflections: 0.0067
• Weighted residual factors for significantly intense reflections: 0.0161
• Weighted residual factors for all reflections included in the refinement: 0.0161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.7886
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No