Information card for entry 7714629

Structure parameters

• Formula: C122 H100 B4 K2 N2
• Calculated formula: C122 H100 B4 K2 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: 10.0169 ± 0.0002 Å
• b: 14.8735 ± 0.0003 Å
• c: 16.236 ± 0.0003 Å
• α: 86.734 ± 0.002°
• β: 84.599 ± 0.002°
• γ: 82.053 ± 0.002°
• Cell volume: 2382.7 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• 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