Information card for entry 1552890

Structure parameters

• Formula: C10 H7 B F2 N2 O2
• Calculated formula: C10 H7 B F2 N2 O2
• Title of publication: Blue fluorescence from N,O-coordinated BF2 complexes having aromatic chromophores in solution and solid state
• Authors of publication: Yamaji, Minoru; Tomonari, Kazuhiro; Ikuma, Keisuke; Goto, Kenta; Tani, Fumito; Okamoto, Hideki
• Journal of publication: Photochemical & Photobiological Sciences
• Year of publication: 2019
• a: 11.1853 ± 0.0004 Å
• b: 26.0241 ± 0.0009 Å
• c: 7.1318 ± 0.0003 Å
• α: 90°
• β: 105.872 ± 0.008°
• γ: 90°
• Cell volume: 1996.83 ± 0.15 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1658
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.2376
• Weighted residual factors for all reflections included in the refinement: 0.2904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No