Information card for entry 4129649

Structure parameters

• Chemical name: 'GNL-15'
• Formula: C22 H34 N2 O3 S Si2
• Calculated formula: C22 H34 N2 O3 S Si2
• SMILES: c1(cccc2cccnc12)S(=O)(=O)N1C[C@H]2C[C@@H](C1)[Si](O[Si]2(CC)CC)(CC)CC
• 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: 8.798 ± 0.003 Å
• b: 8.917 ± 0.005 Å
• c: 15.981 ± 0.007 Å
• α: 92.26 ± 0.03°
• β: 100.248 ± 0.01°
• γ: 97.674 ± 0.013°
• Cell volume: 1220.1 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.0719
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No