Information card for entry 1552887

Structure parameters

• Formula: C20 H13 B F2 N2 O
• Calculated formula: C20 H13 B F2 N2 O
• SMILES: F[B]1(F)OC(=Nc2[n]1cccc2)c1c2c(c3c(cc2)cccc3)ccc1
• 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: 7.2247 ± 0.0007 Å
• b: 8.2901 ± 0.0006 Å
• c: 12.9787 ± 0.0014 Å
• α: 94.973 ± 0.007°
• β: 93.331 ± 0.008°
• γ: 98.458 ± 0.007°
• Cell volume: 764.01 ± 0.13 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: 0.0562
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No