Information card for entry 7061778

Structure parameters

• Formula: C22 H32 N2 O3 Si2
• Calculated formula: C22 H32 N2 O3 Si2
• 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: 6.123 ± 0.0012 Å
• b: 11.555 ± 0.002 Å
• c: 17.02 ± 0.003 Å
• α: 90°
• β: 100.03 ± 0.03°
• γ: 90°
• Cell volume: 1185.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1119
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.745 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No