Information card for entry 4028205

Structure parameters

• Formula: C28 H35 N O5 S2 Si2
• Calculated formula: C23 H36 N2 O2 S Si
• SMILES: Cc1ccc(cc1)S(=O)(=O)N1CC(/C(=C(C#N)/[Si](C(C)C)(C(C)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: 11.6475 ± 0.0011 Å
• b: 18.532 ± 0.0018 Å
• c: 23.269 ± 0.002 Å
• α: 90°
• β: 92.298 ± 0.001°
• γ: 90°
• Cell volume: 5018.6 ± 0.8 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: 0.1073
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No