Information card for entry 7033908

Structure parameters

• Formula: C18 H5 B Cl F10 N O2 S
• Calculated formula: C18 H5 B Cl F10 N O2 S
• SMILES: Clc1ccc(S(=O)(=O)NB(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)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: 8.3755 ± 0.0003 Å
• b: 11.2582 ± 0.0005 Å
• c: 11.2869 ± 0.0004 Å
• α: 76.807 ± 0.003°
• β: 87.603 ± 0.002°
• γ: 68.315 ± 0.002°
• Cell volume: 961.79 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No