Information card for entry 7134916

Structure parameters

• Formula: C8 H7 B F2 O3
• Calculated formula: C8 H7 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: 9.09 ± 0.003 Å
• b: 11.297 ± 0.003 Å
• c: 8.038 ± 0.003 Å
• α: 90°
• β: 96.756 ± 0.004°
• γ: 90°
• Cell volume: 819.7 ± 0.5 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: 0.0435
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No