Information card for entry 4121519

Structure parameters

• Formula: C30 H46 Br N O5 Si
• Calculated formula: C30 H46 Br N O5 Si
• SMILES: Brc1ccc(CNC(=O)[C@@H]2[C@H](CC(=C3[C@@H]2[C@H](O)CCC3)O[Si](C(C)C)(C(C)C)C(C)C)C(=O)OCC)cc1
• 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: 13.4034 ± 0.0009 Å
• b: 13.4037 ± 0.0009 Å
• c: 17.8225 ± 0.0013 Å
• α: 89.539 ± 0.005°
• β: 89.62 ± 0.005°
• γ: 87.393 ± 0.005°
• Cell volume: 3198.4 ± 0.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2171
• Weighted residual factors for all reflections included in the refinement: 0.2373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No