Information card for entry 1555582

Structure parameters

• Formula: C19 H28 Cl N O2 Si
• Calculated formula: C19 H28 Cl N O2 Si
• SMILES: Clc1c(C(=O)NOC)c(C#C[Si](C(C)C)(C(C)C)C(C)C)ccc1
• 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: 18.781 ± 0.005 Å
• b: 13.854 ± 0.004 Å
• c: 8.134 ± 0.002 Å
• α: 90°
• β: 93.886 ± 0.004°
• γ: 90°
• Cell volume: 2111.5 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.153
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.2323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No