Information card for entry 4024360

Structure parameters

• Chemical name: 28,28-dimethyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.11.3]nonacosane
• Formula: C26 H50 O4 Si
• Calculated formula: C26 H50 O4 Si
• SMILES: [Si]1(OC2(OOC3(O1)CCCCCCCCCCC3)CCCCCCCCCCC2)(C)C
• Title of publication: Ring Contraction of 1,2,4,5,7,8-Hexaoxa-3-silonanes by Selective Reduction of COOSi Fragments. Synthesis of New Silicon-Containing Rings, 1,3,5,6-Tetraoxa-2-silepanes
• Authors of publication: Alexander O. Terent'ev; Maxim M. Platonov; Anna I. Tursina; Vladimir V. Chernyshev; Gennady I. Nikishin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1917 - 1922
• a: 8.432 ± 0.002 Å
• b: 20.859 ± 0.003 Å
• c: 31.946 ± 0.005 Å
• α: 90°
• β: 93.844 ± 0.002°
• γ: 90°
• Cell volume: 5606.1 ± 1.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.3184
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No