Information card for entry 7133275

Structure parameters

• Formula: C26 H28 B2 Cl3 N3
• Calculated formula: C26 H28 B2 Cl3 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: 15.6649 ± 0.0012 Å
• b: 11.3864 ± 0.0009 Å
• c: 15.8645 ± 0.0012 Å
• α: 90°
• β: 115.787 ± 0.002°
• γ: 90°
• Cell volume: 2547.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.055
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No