Information card for entry 7124652

Structure parameters

• Formula: C18 H21 B F6 N O4 P S2
• Calculated formula: C18 H21 B F6 N O4 P S2
• Title of publication: Diverse reactivity of borenium cations with >N-H compounds.
• Authors of publication: Devillard, Marc; Mallet-Ladeira, Sonia; Bouhadir, Ghenwa; Bourissou, Didier
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 57
• Pages of publication: 8877 - 8880
• a: 30.337 ± 0.003 Å
• b: 7.7017 ± 0.0006 Å
• c: 19.3533 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4521.8 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No