Information card for entry 1563274

Structure parameters

• Formula: C15 H23 N O Si
• Calculated formula: C15 H23 N O Si
• SMILES: [Si](c1[nH]c2cc(OC)ccc2c1)(CC)(CC)CC
• Title of publication: An Effective and Versatile Strategy for the Synthesis of Structurally Diverse Heteroarylsilanes via Ir(III)-Catalyzed C−H Silylation
• Authors of publication: Yan, Zhi-Bo; Peng, Meng; Chen, Qi-Long; Lu, Ka; Tu, Yong Qiang; Dai, Kun Long; Zhang, Fu-Min; Zhang, Xiao-Ming
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 17.07243 ± 0.00019 Å
• b: 17.07243 ± 0.00019 Å
• c: 21.9046 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6384.49 ± 0.15 ų
• Cell temperature: 149.96 ± 0.1 K
• Ambient diffraction temperature: 149.96 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No