Information card for entry 4037480

Structure parameters

• Formula: C20 H22 O5
• Calculated formula: C20 H22 O5
• SMILES: O(c1ccc(cc1)[C@@H](O)[C@@]1(C[C@@H](OC1=O)c1ccc(OC)cc1)C)C.O(c1ccc(cc1)[C@H](O)[C@]1(C[C@H](OC1=O)c1ccc(OC)cc1)C)C
• Title of publication: Reductive Bis-addition of Aromatic Aldehydes to α,β-Unsaturated Esters via the Use of Sm/Cu(I) in Air: A Route to the Construction of Furofuran Lignans.
• Authors of publication: Liu, Yongjun; Tian, Guang; Li, Jingjing; Qi, Yan; Wen, Yonghong; Du, Feng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 11
• Pages of publication: 5932 - 5939
• a: 5.71443 ± 0.00018 Å
• b: 28.523 ± 0.0008 Å
• c: 10.7016 ± 0.0004 Å
• α: 90°
• β: 90.151 ± 0.003°
• γ: 90°
• Cell volume: 1744.28 ± 0.1 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No