Information card for entry 1540598

Structure parameters

• Formula: C21 H21 N Si
• Calculated formula: C21 H21 N Si
• SMILES: [Si](c1c(c2c(n3c1ccc3)cccc2)c1ccccc1)(C)(C)C
• Title of publication: Cyclopentadiene-Phosphine/Palladium-Catalyzed Synthesis of Indolizines from Pyrrole and 1,4-Dibromo-1,3-butadienes.
• Authors of publication: Hao, Wei; Wang, Han; Ye, Qingyu; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 5674 - 5677
• a: 10.2204 ± 0.0005 Å
• b: 10.3756 ± 0.0007 Å
• c: 18.4485 ± 0.0012 Å
• α: 95.235 ± 0.005°
• β: 105.12 ± 0.005°
• γ: 108.782 ± 0.005°
• Cell volume: 1754.9 ± 0.2 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No