Information card for entry 7061783

Structure parameters

• Formula: C18 H25 N O2 Si2
• Calculated formula: C18 H25 N O2 Si2
• SMILES: [Si](O[Si](C)(C)C)(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1
• Title of publication: Siloxane-containing derivatives of benzoic acid: chemical transformation of the carboxyl group
• Authors of publication: Goncharova, Irina K.; Ulianova, Eva A.; Novikov, Roman A.; Volodin, Alexander D.; Korlyukov, Alexander A.; Arzumanyan, Ashot V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 37
• Pages of publication: 18041 - 18047
• a: 8.8577 ± 0.0008 Å
• b: 13.1585 ± 0.001 Å
• c: 18.2092 ± 0.0015 Å
• α: 89.871 ± 0.003°
• β: 76.174 ± 0.003°
• γ: 72.851 ± 0.003°
• Cell volume: 1963.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No