Information card for entry 7714628

Structure parameters

• Formula: C70 H56 B2 K N
• Calculated formula: C70 H56 B2 K N
• 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: 18.8567 ± 0.0002 Å
• b: 18.5384 ± 0.0002 Å
• c: 16.4824 ± 0.0002 Å
• α: 90°
• β: 105.837 ± 0.001°
• γ: 90°
• Cell volume: 5543.1 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• 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