Information card for entry 4031823

Structure parameters

• Formula: C26 H22 O5
• Calculated formula: C26 H22 O5
• SMILES: O1[C@@H](c2ccccc2)[C@H]2OCCO[C@H]2C1(C(=O)c1ccccc1)C(=O)c1ccccc1
• Title of publication: Synthesis of Chiral Tetrahydrofurans via Catalytic Asymmetric [3 + 2] Cycloaddition of Heterosubstituted Alkenes with Oxiranes.
• Authors of publication: Yuan, Xiao; Lin, Lili; Chen, Weiliang; Wu, Wangbin; Liu, Xiaohua; Feng, Xiaoming
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 3
• Pages of publication: 1237 - 1243
• a: 10.2142 ± 0.0004 Å
• b: 10.2142 ± 0.0004 Å
• c: 17.8299 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1610.97 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No