Information card for entry 4502825

Structure parameters

• Formula: C18 H15 Cl3 O2
• Calculated formula: C18 H15 Cl3 O2
• SMILES: c1(cc([o+]c(c1)c1ccccc1)c1ccccc1)O.C(Cl)Cl.[Cl-]
• 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: 9.963 ± 0.004 Å
• b: 10.692 ± 0.004 Å
• c: 10.733 ± 0.007 Å
• α: 115.046 ± 0.009°
• β: 111.896 ± 0.01°
• γ: 99.061 ± 0.007°
• Cell volume: 890.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1813
• 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