Information card for entry 7248644

Structure parameters

• Chemical name: 7-Fluoro-1,1-dimethyl-6-(1-(2-fluorophenylsulfonyl)-1H-1,2,3-triazol-4-yl)benzo[c][1,2,5]oxasilaborol-3(1H)-ol
• Formula: C17 H15 B Cl3 F2 N3 O4 S Si
• Calculated formula: C17 H15 B Cl3 F2 N3 O4 S Si
• Title of publication: Ethynyl-substituted benzosiloxaboroles: the role of C(π)⋯B interactions in their crystal packing and use in Cu(i)-catalyzed 1,3-dipolar cycloaddition
• Authors of publication: Pacholak, P.; Durka, K.; Woźniak, K.; Krajewska, J.; Laudy, A. E.; Luliński, S.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 16069 - 16082
• a: 8.8484 ± 0.0004 Å
• b: 11.1678 ± 0.0004 Å
• c: 12.0146 ± 0.0005 Å
• α: 89.089 ± 0.003°
• β: 77.254 ± 0.003°
• γ: 80.69 ± 0.003°
• Cell volume: 1142.5 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No