Information card for entry 4129651

Structure parameters

• Formula: C24 H30 N2 O3 S Si2
• Calculated formula: C24 H30 N2 O3 S Si2
• SMILES: c1(cccc2cccnc12)S(=O)(=O)N1C[C@H]2C[C@](C1)(c1ccccc1)[Si](O[Si]2(C)C)(C)C.c1(cccc2cccnc12)S(=O)(=O)N1C[C@@H]2C[C@@](C1)(c1ccccc1)[Si](O[Si]2(C)C)(C)C
• 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: 9.9346 ± 0.0013 Å
• b: 11.8387 ± 0.0016 Å
• c: 11.9667 ± 0.0016 Å
• α: 65.486 ± 0.002°
• β: 88.359 ± 0.003°
• γ: 75.099 ± 0.003°
• Cell volume: 1232.6 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.136
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No