Information card for entry 4129654

Structure parameters

• Formula: C22 H30 N2 O4 S Si
• Calculated formula: C22 H30 N2 O4 S Si
• SMILES: S(=O)(=O)(N1[C@@H](CC[C@@H]([SiH](CC)CC)C1)Cc1ccccc1)c1ccc(N(=O)=O)cc1.S(=O)(=O)(N1[C@H](CC[C@H]([SiH](CC)CC)C1)Cc1ccccc1)c1ccc(N(=O)=O)cc1
• 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: 55.519 ± 0.002 Å
• b: 5.7867 ± 0.0002 Å
• c: 14.4737 ± 0.0005 Å
• α: 90°
• β: 102.893 ± 0.0018°
• γ: 90°
• Cell volume: 4532.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No