Information card for entry 7061780

Structure parameters

• Formula: C24 H32 N2 O3 Si2
• Calculated formula: C24 H32 N2 O3 Si2
• SMILES: [Si](O[Si](c1ccc(C(=O)NCC=C)cc1)(C)C)(c1ccc(C(=O)NCC=C)cc1)(C)C
• 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: 9.8135 ± 0.0017 Å
• b: 13.78 ± 0.003 Å
• c: 18.422 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2491.2 ± 0.9 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 5
• 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: 0.1907
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.2195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No