Information card for entry 7247554

Structure parameters

• Chemical name: 1,1-dimethyl-5,6-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol
• Formula: C8 H9 B F2 O2 Si
• Calculated formula: C8 H9 B F2 O2 Si
• Title of publication: Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles
• Authors of publication: Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 45
• Pages of publication: 6329 - 6342
• a: 7.0164 ± 0.0003 Å
• b: 12.3417 ± 0.0006 Å
• c: 18.5513 ± 0.001 Å
• α: 93.405 ± 0.004°
• β: 93.926 ± 0.004°
• γ: 105.818 ± 0.004°
• Cell volume: 1536.87 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0535
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No