Information card for entry 7033906

Structure parameters

• Formula: C38 H30 B F15 N O3 P S
• Calculated formula: C38 H30 B F15 N O3 P S
• SMILES: S(=O)(=O)(N(c1c(F)c(F)c(F)c(F)c1F)[B]([O]=P(CC)(CC)CC)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1ccc(C)cc1.Cc1ccccc1
• 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: 8.252 ± 0.0004 Å
• b: 13.7632 ± 0.0007 Å
• c: 17.0976 ± 0.0008 Å
• α: 83.047 ± 0.003°
• β: 80.953 ± 0.003°
• γ: 87.098 ± 0.003°
• Cell volume: 1902.59 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 149.99 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: 0.0451
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0569
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No