Information card for entry 4028200

Structure parameters

• Formula: C25 H40 N2 O2 S Si
• Calculated formula: C25 H40 N2 O2 S Si
• SMILES: Cc1ccc(cc1)S(=O)(=O)N1C(C(=C(C#N)/[Si](C(C)C)(C(C)C)C(C)C)/C(C1)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: 7.9199 ± 0.0006 Å
• b: 22.3821 ± 0.0018 Å
• c: 15.455 ± 0.0012 Å
• α: 90°
• β: 102.289 ± 0.001°
• γ: 90°
• Cell volume: 2676.8 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No