Information card for entry 4083066

Structure parameters

• Formula: C16 H34 O4 Si2
• Calculated formula: C16 H34 O4 Si2
• SMILES: [Si]1(OOC2(OO[Si](CC1)(C)C)CCC(C(C)(C)C)CC2)(C)C
• Title of publication: Nature Chooses Rings: Synthesis of Silicon-Containing Macrocyclic Peroxides
• Authors of publication: Arzumanyan, Ashot V.; Novikov, Roman A.; Terent’ev, Alexander O.; Platonov, Maxim M.; Lakhtin, Valentin G.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Chernyshev, Vladimir V.; Fitch, Andrew N.; Zdvizhkov, Alexander T.; Krylov, Igor B.; Tomilov, Yury V.; Nikishin, Gennady I.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2230
• a: 6.3206 ± 0.0009 Å
• b: 25.284 ± 0.003 Å
• c: 12.6222 ± 0.0017 Å
• α: 90°
• β: 91.175 ± 0.004°
• γ: 90°
• Cell volume: 2016.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066392
• Residual factor for significantly intense reflections: 0.037148
• Weighted residual factors for all reflections included in the refinement: 0.057124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No