Information card for entry 4035707

Structure parameters

• Formula: C20 H22 Br N O3 Si
• Calculated formula: C20 H22 Br N O3 Si
• SMILES: Brc1cc2c(N([C@@H]([C@H]2C(=O)C)[Si](c2ccccc2)(C)C)C(=O)OC)cc1
• Title of publication: NHC-Copper-Catalyzed Asymmetric Dearomative Silylation of Indoles.
• Authors of publication: Shi, Yongjia; Gao, Qian; Xu, Senmiao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 23
• Pages of publication: 14758 - 14767
• a: 8.2785 ± 0.0008 Å
• b: 8.9957 ± 0.0009 Å
• c: 26.839 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1998.7 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No