Information card for entry 1552889

Structure parameters

• Formula: C16 H11 B F2 N2 O
• Calculated formula: C16 H11 B F2 N2 O
• 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: 7.2084 ± 0.0002 Å
• b: 10.4274 ± 0.0004 Å
• c: 17.7519 ± 0.0006 Å
• α: 90°
• β: 94.312 ± 0.007°
• γ: 90°
• Cell volume: 1330.54 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No