Information card for entry 4028201

Structure parameters

• Formula: C27 H44 N2 O2 S Si
• Calculated formula: C27 H44 N2 O2 S Si
• SMILES: [Si](C(=C1\C(N(S(=O)(=O)c2ccc(cc2)C)C[C@H]1C)(CC)CC)\C#N)(C(C)C)(C(C)C)C(C)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: 13.1622 ± 0.0012 Å
• b: 14.1592 ± 0.0012 Å
• c: 15.1685 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2826.9 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No