Information card for entry 4125284

Structure parameters

• Formula: C18 H26 O2 Si
• Calculated formula: C18 H26 O2 Si
• SMILES: [Si](C[C@H]1[C@@H](O[C@H]2OCCC[C@@H]12)C=C)(c1ccccc1)(C)C.[Si](C[C@@H]1[C@H](O[C@@H]2OCCC[C@H]12)C=C)(c1ccccc1)(C)C
• Title of publication: Copper-Catalyzed Cross-Coupling of Silicon Pronucleophiles with Unactivated Alkyl Electrophiles Coupled with Radical Cyclization.
• Authors of publication: Xue, Weichao; Qu, Zheng-Wang; Grimme, Stefan; Oestreich, Martin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 43
• Pages of publication: 14222 - 14225
• a: 8.7705 ± 0.0003 Å
• b: 11.8484 ± 0.0005 Å
• c: 16.7993 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1745.72 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No