Information card for entry 7133272

Structure parameters

• Formula: C34 H43 B2 N3
• Calculated formula: C34 H43 B2 N3
• Title of publication: Aromaticity transfer in an annulated 1,4,2-diazaborole: facile access to <i>C</i>_s symmetric 1,4,2,5-diazadiborinines.
• Authors of publication: Pattathil, Vignesh; Pranckevicius, Conor
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 60
• Pages of publication: 7705 - 7708
• a: 11.6929 ± 0.0006 Å
• b: 17.5821 ± 0.0009 Å
• c: 14.6284 ± 0.0008 Å
• α: 90°
• β: 104.319 ± 0.002°
• γ: 90°
• Cell volume: 2914 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No