Information card for entry 7061782

Structure parameters

• Formula: C30 H43 N3 O5 Si3
• Calculated formula: C30 H43 N3 O5 Si3
• 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: 13.6295 ± 0.0008 Å
• b: 14.8131 ± 0.0008 Å
• c: 17.2611 ± 0.0009 Å
• α: 90°
• β: 109.806 ± 0.003°
• γ: 90°
• Cell volume: 3278.8 ± 0.3 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: 0.1534
• Residual factor for significantly intense reflections: 0.1288
• Weighted residual factors for significantly intense reflections: 0.2798
• Weighted residual factors for all reflections included in the refinement: 0.2902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No