Information card for entry 7116465

Structure parameters

• Formula: C34 H24 B F2 N3 O
• Calculated formula: C34 H24 B F2 N3 O
• SMILES: F[B]1(F)OC(=Cc2[n]1c1ccccc1nc2c1ccccc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
• 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: 14.9332 ± 0.0005 Å
• b: 11.3243 ± 0.0004 Å
• c: 17.9422 ± 0.0006 Å
• α: 90°
• β: 94.526 ± 0.002°
• γ: 90°
• Cell volume: 3024.71 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No