Information card for entry 4121520

Structure parameters

• Formula: C20 H34 O5 Si
• Calculated formula: C20 H34 O5 Si
• SMILES: [Si](OC1=C[C@@H]2[C@@H]([C@H](C1)C(=O)OCC)C(=O)OC2)(C(C)C)(C(C)C)C(C)C
• Title of publication: Acylammonium salts as dienophiles in diels-alder/lactonization organocascades.
• Authors of publication: Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 12
• Pages of publication: 4492 - 4495
• a: 16.6474 ± 0.0007 Å
• b: 34.4793 ± 0.0014 Å
• c: 19.1312 ± 0.0008 Å
• α: 90°
• β: 95.85 ± 0.002°
• γ: 90°
• Cell volume: 10923.9 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No