Information card for entry 4037481

Structure parameters

• Formula: C22 H22 O4
• Calculated formula: C22 H22 O4
• SMILES: O1[C@@H](c2ccc(c(c2)C)C)[C@H]2[C@@H](C1=O)[C@H](OC2=O)c1ccc(c(c1)C)C.O1[C@H](c2ccc(c(c2)C)C)[C@@H]2[C@H](C1=O)[C@@H](OC2=O)c1ccc(c(c1)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: 24.5382 ± 0.0013 Å
• b: 5.9207 ± 0.0003 Å
• c: 25.8385 ± 0.0013 Å
• α: 90°
• β: 104.266 ± 0.006°
• γ: 90°
• Cell volume: 3638.1 ± 0.3 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No