Information card for entry 1542441

Structure parameters

• Formula: C21 H26 O3 Se
• Calculated formula: C21 H26 O3 Se
• SMILES: O(c1cc(OC)cc(OC)c1[C@@H]1CCCC[C@H]1[Se]c1ccccc1)C.O(c1cc(OC)cc(OC)c1[C@H]1CCCC[C@@H]1[Se]c1ccccc1)C
• Title of publication: Catalytic Selenium-Promoted Intermolecular Friedel-Crafts Alkylation with Simple Alkenes.
• Authors of publication: Tang, E.; Zhao, Yinjiao; Li, Wen; Wang, Weilin; Zhang, Meng; Dai, Xin
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 912
• a: 7.494 ± 0.0008 Å
• b: 15.0837 ± 0.0017 Å
• c: 17.3328 ± 0.0019 Å
• α: 90°
• β: 100.884 ± 0.001°
• γ: 90°
• Cell volume: 1924 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No