Information card for entry 7714626

Structure parameters

• Formula: C55 H42 B3 Br N
• Calculated formula: C55 H42 B3 Br 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: 12.4227 ± 0.0002 Å
• b: 12.5117 ± 0.0002 Å
• c: 15.82 ± 0.0002 Å
• α: 99.055 ± 0.001°
• β: 95.7 ± 0.001°
• γ: 117.208 ± 0.002°
• Cell volume: 2118.1 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• 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