Information card for entry 7116464

Structure parameters

• Formula: C22 H15 B F2 N2 O
• Calculated formula: C22 H15 B F2 N2 O
• SMILES: F[B]1(F)OC(=Cc2[n]1c1c(nc2c2ccccc2)cccc1)c1ccccc1
• Title of publication: Structural diversity of new solid-state luminophores based on quinoxaline-β-ketoiminate boron difluoride complexes with remarkable fluorescence switching properties.
• Authors of publication: Liao, Chia-Wei; Rao M, Rajeswara; Sun, Shih-Sheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 13
• Pages of publication: 2656 - 2659
• a: 7.1054 ± 0.0007 Å
• b: 11.1114 ± 0.001 Å
• c: 11.9627 ± 0.0012 Å
• α: 96.493 ± 0.003°
• β: 106.301 ± 0.003°
• γ: 105.521 ± 0.002°
• Cell volume: 855.17 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0627
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No