Information card for entry 7158651

Structure parameters

• Formula: C17 H22 O5
• Calculated formula: C17 H22 O5
• Title of publication: Synthesis of acyloin natural products by Mukaiyama hydration.
• Authors of publication: Ricca, Michael; Zhang, Wei; Li, Jiaqi; Fellowes, Thomas; White, Jonathan M.; Donnelly, Paul S.; Rizzacasa, Mark A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 19
• Pages of publication: 4038 - 4047
• a: 8.7844 ± 0.0001 Å
• b: 10.2193 ± 0.0001 Å
• c: 18.8935 ± 0.0002 Å
• α: 75.495 ± 0.001°
• β: 84.894 ± 0.001°
• γ: 88.497 ± 0.001°
• Cell volume: 1635.49 ± 0.03 ų
• Cell temperature: 99.96 ± 0.02 K
• Ambient diffraction temperature: 99.96 ± 0.02 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No