Information card for entry 1546408

Structure parameters

• Formula: C22 H27 N O Si
• Calculated formula: C22 H27 N O Si
• SMILES: [Si](O/C(=C\Cc1ccccc1)c1c(cccc1)C#N)(C)(C)C(C)(C)C
• Title of publication: Copper-Catalyzed Borylative Cyclization of in Situ Generated o-Allenylaryl Nitriles with Bis(pinacolato)diboron.
• Authors of publication: Xiong, Meijun; Xie, Xin; Liu, Yuanhong
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3398 - 3401
• a: 8.174 ± 0.0012 Å
• b: 13.0525 ± 0.0018 Å
• c: 19.466 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2076.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No