Information card for entry 7133270

Structure parameters

• Formula: C26 H28 B N3
• Calculated formula: C26 H28 B 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: 8.4111 ± 0.0006 Å
• b: 15.3474 ± 0.0011 Å
• c: 17.0335 ± 0.0013 Å
• α: 90°
• β: 96.326 ± 0.002°
• γ: 90°
• Cell volume: 2185.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No