Information card for entry 7158652

Structure parameters

• Formula: C22 H30 N2 O5
• Calculated formula: C22 H30 N2 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: 8.3632 ± 0.0001 Å
• b: 10.7798 ± 0.0001 Å
• c: 12.6342 ± 0.0002 Å
• α: 67.34 ± 0.001°
• β: 80.523 ± 0.001°
• γ: 88.594 ± 0.001°
• Cell volume: 1035.8 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0492
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No