Information card for entry 7158593

Structure parameters

• Formula: C26 H24 O5 Se2
• Calculated formula: C26 H24 O5 Se2
• SMILES: [Se](c1ccccc1)[C@H](C(=O)OC)[C@H]1O[C@@H]([C@@H]([Se]c2ccccc2)C(=O)OC)c2ccccc12
• Title of publication: Synthesis of 1,3-diselenyl-dihydroisobenzofurans via electrochemical radical selenylation with substituted o-divinylbenzenes and diselenides
• Authors of publication: Wang, Ying; Xu, Ning; Li, Weiwei; Li, Jiaojiao; Huo, Yijun; Zhu, Wenrong; Liu, Qiang
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 9.754 ± 0.003 Å
• b: 9.783 ± 0.003 Å
• c: 27.883 ± 0.009 Å
• α: 89.185 ± 0.011°
• β: 88.372 ± 0.013°
• γ: 62.58 ± 0.009°
• Cell volume: 2360.8 ± 1.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1385
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.2493
• Weighted residual factors for all reflections included in the refinement: 0.2987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No