Information card for entry 7133276

Structure parameters

• Formula: C27 H31 B I N3
• Calculated formula: C27 H31 B I 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: 8.0398 ± 0.0006 Å
• b: 28.378 ± 0.002 Å
• c: 11.9315 ± 0.0009 Å
• α: 90°
• β: 108.797 ± 0.002°
• γ: 90°
• Cell volume: 2577 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0531
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No