Information card for entry 7714625

Structure parameters

• Formula: C80 H58 B4 N2
• Calculated formula: C80 H58 B4 N2
• Title of publication: Synthesis, reduction and C-H activation chemistry of azaborinines with redox-active organoboryl substituents.
• Authors of publication: Lamprecht, Anna; Arrowsmith, Merle; Dietz, Maximilian; Fuchs, Sonja; Rempel, Anna; Härterich, Marcel; Braunschweig, Holger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1004 - 1013
• a: 12.7613 ± 0.0001 Å
• b: 12.1923 ± 0.0002 Å
• c: 18.965 ± 0.0002 Å
• α: 90°
• β: 91.848 ± 0.001°
• γ: 90°
• Cell volume: 2949.22 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0513
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No