Information card for entry 4127912

Structure parameters

• Formula: C18 H22 O5 Si2
• Calculated formula: C18 H22 O5 Si2
• SMILES: [Si](O[Si](C)(C)c1ccc(cc1)C(=O)O)(c1ccc(cc1)C(=O)O)(C)C
• Title of publication: Aerobic Co-/ N-Hydroxysuccinimide-Catalyzed Oxidation of p-Tolylsiloxanes to p-Carboxyphenylsiloxanes: Synthesis of Functionalized Siloxanes as Promising Building Blocks for Siloxane-Based Materials.
• Authors of publication: Goncharova, Irina K.; Silaeva, Kseniia P.; Arzumanyan, Ashot V.; Anisimov, Anton A.; Milenin, Sergey A.; Novikov, Roman A.; Solyev, Pavel N.; Tkachev, Yaroslav V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Muzafarov, Aziz M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 5
• Pages of publication: 2143 - 2151
• a: 27.4926 ± 0.0009 Å
• b: 9.318 ± 0.0003 Å
• c: 15.4357 ± 0.0005 Å
• α: 90°
• β: 103.206 ± 0.001°
• γ: 90°
• Cell volume: 3849.7 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No