Information card for entry 4129648

Structure parameters

• Formula: C23 H28 N2 O3 Si
• Calculated formula: C23 H28 N2 O3 Si
• SMILES: N1(C=C(CC(C1)[SiH](CC)CC)Cc1ccccc1)C(=O)c1ccc(cc1)N(=O)=O
• 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: 15.5047 ± 0.0007 Å
• b: 9.1321 ± 0.0003 Å
• c: 16.5055 ± 0.0006 Å
• α: 90°
• β: 110.485 ± 0.0017°
• γ: 90°
• Cell volume: 2189.24 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0747
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No