Information card for entry 7124655

Structure parameters

• Formula: C33 H30 B F6 N2 O4 P S2
• Calculated formula: C33 H30 B F6 N2 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: 8.9898 ± 0.0004 Å
• b: 12.2194 ± 0.0006 Å
• c: 15.5624 ± 0.0008 Å
• α: 91.453 ± 0.002°
• β: 91.387 ± 0.002°
• γ: 106.552 ± 0.002°
• Cell volume: 1637.28 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1415
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.2558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No