Information card for entry 7126367

Structure parameters

• Formula: C47 H58 B2 N4
• Calculated formula: C47 H58 B2 N4
• 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: 8.538 ± 0.002 Å
• b: 11.12 ± 0.003 Å
• c: 21.468 ± 0.006 Å
• α: 98.92 ± 0.01°
• β: 91.29 ± 0.016°
• γ: 96.808 ± 0.012°
• Cell volume: 1997.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No