Information card for entry 4085946

Structure parameters

• Formula: C24 H30 B N O3 S Si
• Calculated formula: C24 H30 B N O3 S Si
• SMILES: c1(ccccc1)[Si](c1ccccc1)(c1c(ccs1)[B]12OCC[N]2(CCO1)CCCC)O
• Title of publication: Benzosiloxaboroles: Silicon Benzoxaborole Congeners with Improved Lewis Acidity, High Diol Affinity, and Potent Bioactivity
• Authors of publication: Brzozowska, Aleksandra; Ćwik, Paweł; Durka, Krzysztof; Kliś, Tomasz; Laudy, Agnieszka E.; Luliński, Sergiusz; Serwatowski, Janusz; Tyski, Stefan; Urban, Mateusz; Wróblewski, Wojciech
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2924
• a: 11.393 ± 0.0002 Å
• b: 12.1235 ± 0.0002 Å
• c: 16.8329 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2325.01 ± 0.06 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• 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: 0.0371
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No