Information card for entry 7247556

Structure parameters

• Chemical name: 1,1-dimethyl-6,7-difluoro-6-formylo-2,1,3-benzoxasilaborol-3(1H)-ol
• Formula: C9 H9 B F2 O3 Si
• Calculated formula: C9 H9 B F2 O3 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: 6.9101 ± 0.0004 Å
• b: 8.4399 ± 0.0004 Å
• c: 10.1501 ± 0.0004 Å
• α: 86.142 ± 0.004°
• β: 72.322 ± 0.004°
• γ: 70.59 ± 0.005°
• Cell volume: 531.58 ± 0.05 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: 0.0327
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No