Information card for entry 7133273

Structure parameters

• Formula: C26 H28 B2 F3 N3
• Calculated formula: C26 H28 B2 F3 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: 13.4867 ± 0.0018 Å
• b: 12.7379 ± 0.0017 Å
• c: 13.3863 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2299.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No