Information card for entry 4509849

Structure parameters

• Formula: C12 H13 B F2 O4
• Calculated formula: C12 H13 B F2 O4
• SMILES: F[B]1(F)[O]=C(c2ccc(OC)cc2)C=C(OCC)O1
• Title of publication: General design strategy for aromatic ketone-based single-component dual-emissive materials.
• Authors of publication: Zhang, Xuepeng; Xie, Tongqing; Cui, Minxin; Yang, Li; Sun, Xingxing; Jiang, Jun; Zhang, Guoqing
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2014
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 2279 - 2284
• a: 6.9547 ± 0.0011 Å
• b: 8.5168 ± 0.0014 Å
• c: 11.8751 ± 0.0018 Å
• α: 82.715 ± 0.013°
• β: 78.561 ± 0.013°
• γ: 67.088 ± 0.016°
• Cell volume: 634.06 ± 0.19 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No