Information card for entry 7132899

Structure parameters

• Formula: C31 H37 N O3 S Si
• Calculated formula: C31 H37 N O3 S Si
• SMILES: S(=O)(=O)(N1c2c(C(=CC(C1=O)C[Si](CC)(CC)CC)c1c(cccc1)C)cccc2)c1ccc(cc1)C
• Title of publication: Radical cascade silylation/cyclization of 1,7-dienes to access silyl-substituted benzo[<i>b</i>]azepin-2-ones.
• Authors of publication: Zhang, Zhen; Lu, Lichao; Li, Guiling; Sheng, Xiaoyu; Zhang, Yijia; Yang, Lin; Zhao, Jiaqi; Xie, Lei; Li, Jiazhu; Sun, Kai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 31
• Pages of publication: 4206 - 4209
• a: 9.462 ± 0.0009 Å
• b: 9.6433 ± 0.0009 Å
• c: 17.6776 ± 0.0019 Å
• α: 75.612 ± 0.002°
• β: 75.789 ± 0.002°
• γ: 87.111 ± 0.003°
• Cell volume: 1514.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1866
• Residual factor for significantly intense reflections: 0.128
• Weighted residual factors for significantly intense reflections: 0.3297
• Weighted residual factors for all reflections included in the refinement: 0.353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No