Information card for entry 7129605

Structure parameters

• Chemical name: methyl 6-((2-oxo-2H-chromen-4-yl)oxy)-3-((triisopropylsilyl)ethynyl)hexanoate
• Formula: C27 H38 O5 Si
• Calculated formula: C27 H38 O5 Si
• Title of publication: Palladium-Catalyzed Intermolecular Alkynylcarbonylation of Unactivated Alkenes: Easy Access to β-Alkynylcarboxylic Esters
• Authors of publication: Li, Xiang; Chen, Pinhong; Liu, Guosheng
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 13.9071 ± 0.001 Å
• b: 14.914 ± 0.0012 Å
• c: 16.1401 ± 0.0013 Å
• α: 109.976 ± 0.002°
• β: 113.932 ± 0.002°
• γ: 98.587 ± 0.002°
• Cell volume: 2709.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.1098
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1962
• 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: Yes
• Has Fobs: No