Information card for entry 7118742

Structure parameters

• Formula: C18 H18 B F20 O2 S4
• Calculated formula: C18 H18 B F20 O2 S4
• Title of publication: Palladium-mediated borylation of pentafluorosulfanyl functionalized compounds: the crucial role of metal fluorido complexes.
• Authors of publication: Berg, Claudia; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 20
• Pages of publication: 3931 - 3934
• a: 9.9552 ± 0.0009 Å
• b: 11.159 ± 0.0009 Å
• c: 13.6383 ± 0.0011 Å
• α: 73.775 ± 0.003°
• β: 71.961 ± 0.003°
• γ: 76.711 ± 0.003°
• Cell volume: 1366.1 ± 0.2 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: 0.0356
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No