Information card for entry 7059862

Structure parameters

• Formula: C20 H13 B F2 O3 S
• Calculated formula: C20 H13 B F2 O3 S
• Title of publication: Synthesis, photophysical and electrochemical properties of novel and highly fluorescent difluoroboron flavanone β-diketonate complexes
• Authors of publication: Paez, Elida Betania Ariza; Curcio, Sergio; Neme, Natália P.; Matos, Matheus J. S.; Correa, Rodrigo S.; Pereira, Fabio Junio; Hilário, Flaviane Francisco; Cazati, Thiago; Taylor, Jason Guy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 14615 - 14631
• a: 10.1117 ± 0.0005 Å
• b: 18.9112 ± 0.0006 Å
• c: 10.1323 ± 0.0005 Å
• α: 90°
• β: 117.599 ± 0.006°
• γ: 90°
• Cell volume: 1717.07 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0868
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No