Information card for entry 4502826

Structure parameters

• Formula: C19 H13 F3 O4
• Calculated formula: C19 H13 F3 O4
• SMILES: c1(cc([o+]c(c1)c1ccccc1)c1ccccc1)O.C(=O)(C(F)(F)F)[O-]
• Title of publication: Acid-Stimuli-Luminescence and Carbonyl-Proton Interaction Dependent Emission Properties of 2,6-Biphenyl-4-pyrone Crystals
• Authors of publication: Zhou, Tianlei; Jia, Tao; Zhao, Shanshan; Guo, Jianhua; Zhang, Hongyu; Wang, Yue
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 179
• a: 9.4765 ± 0.0019 Å
• b: 9.5705 ± 0.0019 Å
• c: 18.723 ± 0.004 Å
• α: 90°
• β: 102.69 ± 0.03°
• γ: 90°
• Cell volume: 1656.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0786
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No