Information card for entry 7243249

Structure parameters

• Chemical name: 6-(tert-butyldimethylsilyloxy)-7-chloro-1,1-dimethyl-3-hydroxybenzo-1,2,3-siloxaborole
• Formula: C14 H24 B Cl O3 Si2
• Calculated formula: C14 H24 B Cl O3 Si2
• Title of publication: Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation
• Authors of publication: Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 41
• Pages of publication: 25104 - 25121
• a: 7.7496 ± 0.0003 Å
• b: 21.2931 ± 0.0004 Å
• c: 11.3262 ± 0.0006 Å
• α: 90°
• β: 96.315 ± 0.006°
• γ: 90°
• Cell volume: 1857.63 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No