Information card for entry 7124654

Structure parameters

• Formula: C31 H29 B N P
• Calculated formula: C31 H29 B N P
• 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: 6.9184 ± 0.0003 Å
• b: 22.8078 ± 0.0012 Å
• c: 16.1979 ± 0.0008 Å
• α: 90°
• β: 101.927 ± 0.002°
• γ: 90°
• Cell volume: 2500.7 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No