Information card for entry 7234146

Structure parameters

• Formula: C18 H12 B F2 N3
• Calculated formula: C18 H12 B F2 N3
• SMILES: [B]1(F)(F)[n]2c(N=c3n1c1ccccc1cc3)ccc1ccccc21
• Title of publication: Aza-boron-diquinomethene complexes bearing N-aryl chromophores: synthesis, crystal structures, tunable photophysics, the protonation effect and their application as pH sensors
• Authors of publication: Xiaolin Zhu; Hai Huang; Rui Liu; Xiaodong Jin; Yuhao Li; Danfeng Wang; Qiang Wang; Hongjun Zhu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 3774 - 3782
• a: 7.156 ± 0.0014 Å
• b: 13.963 ± 0.003 Å
• c: 14.249 ± 0.003 Å
• α: 90°
• β: 93.52 ± 0.03°
• γ: 90°
• Cell volume: 1421.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0631
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No