Information card for entry 7134913

Structure parameters

• Formula: C9 H10 B F2 N O2
• Calculated formula: C9 H10 B F2 N O2
• 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: 13.463 ± 0.005 Å
• b: 6.954 ± 0.002 Å
• c: 10.056 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 941.5 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No