Information card for entry 7247559

Structure parameters

• Chemical name: 1,1-dimethyl-7-(trimethylsilyl)-3-hydroxybenzo[c][1,2,3]siloxaborole
• Formula: C11 H19 B O2 Si2
• Calculated formula: C11 H19 B O2 Si2
• SMILES: [Si](c1c2[Si](OB(O)c2ccc1)(C)C)(C)(C)C
• 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: 8.616 ± 0.0002 Å
• b: 9.8164 ± 0.0003 Å
• c: 17.2931 ± 0.0004 Å
• α: 103.181 ± 0.002°
• β: 93.671 ± 0.002°
• γ: 100.986 ± 0.002°
• Cell volume: 1389.12 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No