Information card for entry 7134915

Structure parameters

• Formula: C14 H11 B F2 O3
• Calculated formula: C14 H11 B F2 O3
• Title of publication: Regulation of the frontier molecular orbitals and photophysical properties of boron tropolonate complexes by regioselective functionalization.
• Authors of publication: Ogoshi, Hikari; Ito, Shunichiro; Tanaka, Kazuo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 76
• Pages of publication: 14625 - 14628
• a: 7.865 ± 0.002 Å
• b: 10.808 ± 0.003 Å
• c: 14.417 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1225.5 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No