Information card for entry 7063628

Structure parameters

• Formula: C11 H8 B F2 N3 O4
• Calculated formula: C11 H8 B F2 N3 O4
• Title of publication: Functionalized 1,3-dipyrrolyl-1,3-diketone difluoroboron complexes
• Authors of publication: Shenoy, Ankitha M.; Fernandes, Premie P.; Lakshmi, Vellanki
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3987 - 3996
• a: 7.2469 ± 0.0003 Å
• b: 7.8596 ± 0.0004 Å
• c: 11.2611 ± 0.0006 Å
• α: 92.953 ± 0.003°
• β: 90.58 ± 0.002°
• γ: 108.407 ± 0.002°
• Cell volume: 607.55 ± 0.05 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No