Information card for entry 1552888

Structure parameters

• Formula: C10 H7 B F2 N2 O2
• Calculated formula: C10 H7 B F2 N2 O2
• SMILES: F[B]1(F)OC(=Nc2[n]1cccc2)c1occc1
• 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: 7.1941 ± 0.0003 Å
• b: 8.5967 ± 0.0004 Å
• c: 9.1402 ± 0.0004 Å
• α: 88.519 ± 0.006°
• β: 70.424 ± 0.005°
• γ: 67.994 ± 0.005°
• Cell volume: 490.58 ± 0.05 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No