Information card for entry 7155756

Structure parameters

• Formula: C20 H36 N2 Si
• Calculated formula: C20 H36 N2 Si
• SMILES: C(C)(C)[Si](C(C)C)(C(C)C)C#CC(=C\C#N)/N(C(C)C)C(C)C
• Title of publication: One-step synthesis of conjugated enynenitriles from bromocyanoacetylene.
• Authors of publication: Ligny, Romain; Gauthier, Etienne S.; Yáñez, Manuel; Roisnel, Thierry; Guillemin, Jean-Claude; Trolez, Yann
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• a: 15.4292 ± 0.0014 Å
• b: 15.571 ± 0.0014 Å
• c: 17.8509 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4288.6 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No