Information card for entry 7157459

Structure parameters

• Formula: C34 H50 O8
• Calculated formula: C34 H50 O8
• 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: 7.0479 ± 0.0002 Å
• b: 10.1584 ± 0.0004 Å
• c: 11.6894 ± 0.0004 Å
• α: 91.402 ± 0.003°
• β: 99.676 ± 0.003°
• γ: 96.997 ± 0.003°
• Cell volume: 817.99 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No