Information card for entry 4088487

Structure parameters

• Formula: C28 H56 O4 Si2
• Calculated formula: C28 H56 O4 Si2
• SMILES: [Si]1(OC2(O[Si](OC3(O1)CCC(CC3)C(C)(C)C)(CC)CC)CCC(CC2)C(C)(C)C)(CC)CC
• Title of publication: Reduction of Organosilicon Peroxides: Ring Contraction and Cyclodimerization
• Authors of publication: Arzumanyan, Ashot V.; Terent’ev, Alexander O.; Novikov, Roman A.; Lakhtin, Valentin G.; Grigoriev, Michail S.; Nikishin, Gennady I.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1667
• a: 11.9229 ± 0.0003 Å
• b: 14.9018 ± 0.0004 Å
• c: 17.4042 ± 0.0005 Å
• α: 90°
• β: 100.108 ± 0.002°
• γ: 90°
• Cell volume: 3044.25 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0825
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No