Information card for entry 7033907

Structure parameters

• Formula: C19 H8 B F10 N O2 S
• Calculated formula: C19 H8 B F10 N O2 S
• SMILES: S(=O)(=O)(NB(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccc(C)cc1
• Title of publication: Reactions of iodine-nitrene reagents with boranes.
• Authors of publication: Postle, Shawn; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4436 - 4439
• a: 8.3826 ± 0.0006 Å
• b: 11.3424 ± 0.0008 Å
• c: 11.4015 ± 0.0008 Å
• α: 101.452 ± 0.004°
• β: 92.38 ± 0.004°
• γ: 111.68 ± 0.004°
• Cell volume: 979.42 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 149.4 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0459
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No