Information card for entry 1546766

Structure parameters

• Formula: C22 H20 O4
• Calculated formula: C22 H20 O4
• SMILES: c1(ccccc1)CO[C@H]1C=C[C@@H]2C(=C[C@H]1O2)C(=O)c1ccc(cc1)OC
• Title of publication: Asymmetric syntheses of 8-oxabicyclo[3,2,1]octane and 11-oxatricyclo[5.3.1.0]undecane from glycals
• Authors of publication: Liao, Hongze; Leng, Wei-Lin; Le Mai Hoang, Kim; Yao, Hui; He, Jingxi; Voo, Amanda Ying Hui; Liu, Xue-Wei
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 5.8597 ± 0.0006 Å
• b: 8.435 ± 0.0008 Å
• c: 35.607 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1759.9 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0555
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No