Information card for entry 4034696

Structure parameters

• Chemical name: Y2
• Formula: C21 H21 N O3 Si
• Calculated formula: C21 H21 N O3 Si
• SMILES: [Si](c1cc2c(c3c4n(ccc4ccc3)C(=O)C2C(=O)OC)cc1)(C)(C)C
• Title of publication: Synthesis of seven-membered azepino[3,2,1-hi]indoles via rhodium-catalyzed regioselectively C-H activation/DBU-catalyzed intramolecualr amidation of 7-phenylindoles in one pot.
• Authors of publication: Yuan, Yumeng; Pan, Guoshuai; Zhang, Xiaofeng; Li, Buhong; Xiang, Shengchang; Huang, Qiufeng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 8.727 ± 0.0007 Å
• b: 9.2667 ± 0.0008 Å
• c: 12.6797 ± 0.0012 Å
• α: 74.37 ± 0.008°
• β: 72.94 ± 0.008°
• γ: 84.241 ± 0.007°
• Cell volume: 943.79 ± 0.15 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No