Information card for entry 4023366

Structure parameters

• Formula: C28 H54 O6 Si
• Calculated formula: C28 H54 O6 Si
• SMILES: [Si]1(OOC2(OOC3(OO1)CCCCCCCCCCC3)CCCCCCCCCCC2)(CC)CC
• 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: 18.883 ± 0.003 Å
• b: 12.913 ± 0.003 Å
• c: 12.913 ± 0.003 Å
• α: 90°
• β: 106.62 ± 0.02°
• γ: 90°
• Cell volume: 3017.1 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1946
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No