Information card for entry 2023524

Structure parameters

• Chemical name: 5,5-Difluoro-10-[5-(trimethylsilyl)furan-2-yl]-5<i>H</i>-4λ^4^,5λ^4^-dipyrrolo[1,2-<i>c</i>:2',1'-<i>f</i>][1,3,2]diazaborinine
• Formula: C16 H17 B F2 N2 O Si
• Calculated formula: C16 H17 B F2 N2 O Si
• Title of publication: Crystal structure and Hirshfeld surface analysis of 5,5-difluoro-10-[5-(trimethylsilyl)furan-2-yl]-5H-4λ4,5λ4-dipyrrolo[1,2-c:2′,1′-f][1,3,2]diazaborinine
• Authors of publication: Shchevnikov, Dmitriy M.; Kutasevich, Alexandra G.; Khrustalev, Victor N.; Guliyeva, Narmina A.; Hasanov, Khudayar I.; Akkurt, Mehmet; Manahelohe, Gizachew Mulugeta
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 7
• a: 19.2621 ± 0.0002 Å
• b: 7.20455 ± 0.00011 Å
• c: 23.1309 ± 0.0003 Å
• α: 90°
• β: 92.2617 ± 0.0012°
• γ: 90°
• Cell volume: 3207.48 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No