Information card for entry 4024361

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: 17.659 ± 0.007 Å
• b: 18.624 ± 0.008 Å
• c: 8.505 ± 0.003 Å
• α: 91.07 ± 0.02°
• β: 96.37 ± 0.04°
• γ: 88.63 ± 0.02°
• Cell volume: 2778.7 ± 1.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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 R(I) for significantly intense reflections: 0.0435
• Goodness-of-fit parameter for all reflections: 2.194
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No