Information card for entry 7126365

Structure parameters

• Formula: C52 H58 B2 F3 N4.87
• Calculated formula: C52 H58 B2 F3 N4.8662
• Title of publication: Synthesis of polyheterocyclic 1,1-diboryltriazenes by γ-nitrogen insertion of azides into activated B-B single bonds.
• Authors of publication: Prieschl, Dominic; Arrowsmith, Merle; Dietz, Maximilian; Rempel, Anna; Müller, Marcel; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 42
• Pages of publication: 5681 - 5684
• a: 10.5695 ± 0.0002 Å
• b: 15.3466 ± 0.0003 Å
• c: 16.2221 ± 0.0003 Å
• α: 65.195 ± 0.002°
• β: 87.805 ± 0.002°
• γ: 72.0887 ± 0.0019°
• Cell volume: 2260.22 ± 0.09 ų
• Cell temperature: 99.97 ± 0.11 K
• Ambient diffraction temperature: 99.97 ± 0.11 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: 0.0555
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No