Information card for entry 4083067

Structure parameters

• Formula: C18 H38 O4 Si2
• Calculated formula: C18 H38 O4 Si2
• SMILES: [Si]1(OOC2(OO[Si](CC1)(C)C)CCCCCCCCCCC2)(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: 11.4142 ± 0.0005 Å
• b: 11.9809 ± 0.0005 Å
• c: 16.0939 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2200.88 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No