Information card for entry 4085944

Structure parameters

• Chemical name: 3-[2-(N,N-dimethyl)aminoethanolato]-1,3-dihydro-1,1-dimethyl- 1,2,3-benzsiloxaborole
• Formula: C12 H20 B N O2 Si
• Calculated formula: C12 H20 B N O2 Si
• SMILES: [Si]1(O[B]2(OCC[N]2(C)C)c2c1cccc2)(C)C
• 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: 8.8533 ± 0.0005 Å
• b: 8.9613 ± 0.0006 Å
• c: 17.4159 ± 0.0011 Å
• α: 77.088 ± 0.006°
• β: 89.018 ± 0.005°
• γ: 86.324 ± 0.005°
• Cell volume: 1344.01 ± 0.15 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No