Information card for entry 4023365

Structure parameters

• Formula: C26 H50 O6 Si
• Calculated formula: C26 H50 O6 Si
• SMILES: [Si]1(OOC2(OOC3(OO1)CCCCCCCCCCC3)CCCCCCCCCCC2)(C)C
• Title of publication: Synthesis of Cyclic Peroxides Containing the Si-gem-bisperoxide Fragment. 1,2,4,5,7,8-Hexaoxa-3-silonanes as a New Class of Peroxides
• 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: 2008
• Journal volume: 73
• Pages of publication: 3169 - 3174
• a: 8.437 ± 0.003 Å
• b: 11.22 ± 0.004 Å
• c: 15.985 ± 0.005 Å
• α: 104.61 ± 0.03°
• β: 93.98 ± 0.03°
• γ: 103.76 ± 0.03°
• Cell volume: 1408.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1535
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No