Information card for entry 4028202

Structure parameters

• Formula: C30 H34 N2 O2 S Si
• Calculated formula: C30 H34 N2 O2 S Si
• SMILES: Cc1ccc(cc1)S(=O)(=O)N1CC(/C(=C(/C#N)[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1)C
• Title of publication: AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis
• Authors of publication: Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 4366 - 4372
• a: 15.241 ± 0.0011 Å
• b: 12.5664 ± 0.001 Å
• c: 16.0205 ± 0.0012 Å
• α: 90°
• β: 114.207 ± 0.001°
• γ: 90°
• Cell volume: 2798.5 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No