Information card for entry 4129652

Structure parameters

• Formula: C24 H27 N2 O2 S Si
• Calculated formula: C24 H27 N2 O2 S Si
• SMILES: c1(cccc2cccnc12)S(=O)(=O)N1CC=C(C(C1)[Si](CC)CC)c1ccccc1
• Title of publication: Selective Silylative Reduction of Pyridines Leading to Structurally Diverse Azacyclic Compounds with the Formation of sp³ C-Si Bonds.
• Authors of publication: Gandhamsetty, Narasimhulu; Park, Sehoon; Chang, Sukbok
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 48
• Pages of publication: 15176 - 15184
• a: 6.985 ± 0.004 Å
• b: 25.542 ± 0.013 Å
• c: 13.145 ± 0.007 Å
• α: 90°
• β: 103.904 ± 0.011°
• γ: 90°
• Cell volume: 2276 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1425
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No