Information card for entry 1515447

Structure parameters

• Formula: C18 H31 N O3 Si
• Calculated formula: C18 H31 N O3 Si
• SMILES: [C@H]1(C/C(=C/N2C(=O)OCC2)[C@H](C)C=C1)CO[Si](C)(C)C(C)(C)C.[C@@H]1(C/C(=C/N2C(=O)OCC2)[C@@H](C)C=C1)CO[Si](C)(C)C(C)(C)C
• Title of publication: Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes
• Authors of publication: Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 633
• a: 7.3695 ± 0.0005 Å
• b: 47.261 ± 0.003 Å
• c: 11.0525 ± 0.0006 Å
• α: 90°
• β: 90.47 ± 0.004°
• γ: 90°
• Cell volume: 3849.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1441
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No