Information card for entry 4028206

Structure parameters

• Formula: C25 H38 N2 O2 S Si
• Calculated formula: C25 H38 N2 O2 S Si
• SMILES: CC(C)[Si](C(C)C)(C(C)C)/C(=C1\[C@H](C)CN2[C@]1(C(C)C)c1ccccc1S2(=O)=O)C#N.CC(C)[Si](C(C)C)(C(C)C)/C(=C1\[C@@H](C)CN2[C@@]1(C(C)C)c1ccccc1S2(=O)=O)C#N
• 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: 12.3322 ± 0.0011 Å
• b: 15.5794 ± 0.0014 Å
• c: 15.9936 ± 0.0014 Å
• α: 114.611 ± 0.001°
• β: 106.319 ± 0.001°
• γ: 98.457 ± 0.001°
• Cell volume: 2555.4 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No