Information card for entry 7116463

Structure parameters

• Formula: C29 H22 B F2 N3 O
• Calculated formula: C29 H22 B F2 N3 O
• SMILES: F[B]1(F)OC(=Cc2[n]1c1c(nc2C)cccc1)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: 18.0013 ± 0.0006 Å
• b: 6.9212 ± 0.0002 Å
• c: 20.263 ± 0.0007 Å
• α: 90°
• β: 116.034 ± 0.002°
• γ: 90°
• Cell volume: 2268.42 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No