Information card for entry 4083069

Structure parameters

• Formula: C20 H36 O6 Si2
• Calculated formula: C20 H36 O6 Si2
• SMILES: [Si]1(OOC2(OOC3(OO[Si](C#C1)(C)C)CCCCCC3)CCCCCC2)(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: 9.9058 ± 0.0008 Å
• b: 11.5174 ± 0.001 Å
• c: 12.2235 ± 0.001 Å
• α: 99.111 ± 0.002°
• β: 113.255 ± 0.002°
• γ: 105.766 ± 0.002°
• Cell volume: 1176.11 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No