Information card for entry 1555581

Structure parameters

• Formula: C21 H33 N O2 Si
• Calculated formula: C21 H33 N O2 Si
• SMILES: c1(cc(c(cc1C#C[Si](C(C)C)(C(C)C)C(C)C)C)C)C(=O)NOC
• Title of publication: Ruthenium-Catalyzed C-H Alkynylation of Aromatic Amides with Hypervalent Iodine-Alkyne Reagents.
• Authors of publication: Boobalan, Ramadoss; Gandeepan, Parthasarathy; Cheng, Chien-Hong
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 14
• Pages of publication: 3314 - 3317
• a: 16.5088 ± 0.0009 Å
• b: 8.4395 ± 0.0005 Å
• c: 16.9774 ± 0.0008 Å
• α: 90°
• β: 109.4 ± 0.001°
• γ: 90°
• Cell volume: 2231.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No