Information card for entry 7157456

Structure parameters

• Formula: C22 H28 O2 Si
• Calculated formula: C22 H28 O2 Si
• Title of publication: Modular synthesis of oligoacetylacetones via site-selective silylation of acetylacetone derivatives.
• Authors of publication: Sarkar, Parantap; Inaba, Yuya; Shirakura, Hayato; Yoneda, Tomoki; Inokuma, Yasuhide
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 3297 - 3302
• a: 19.7751 ± 0.0007 Å
• b: 7.6977 ± 0.0003 Å
• c: 13.7091 ± 0.0005 Å
• α: 90°
• β: 104.859 ± 0.004°
• γ: 90°
• Cell volume: 2017.05 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No