Information card for entry 4121518

Structure parameters

• Formula: C23 H38 O5 Si
• Calculated formula: C23 H38 O5 Si
• SMILES: [Si](OC1=C2[C@H]3[C@H](C(=O)O[C@H]3CCC2)[C@@H](C(=O)OCC)C1)(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: 8.6924 ± 0.0006 Å
• b: 8.9976 ± 0.0006 Å
• c: 29.0972 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2275.7 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No