Information card for entry 4502824

Structure parameters

• Formula: C17 H12 O2
• Calculated formula: C17 H12 O2
• SMILES: c1(=O)cc(c2ccccc2)oc(c1)c1ccccc1
• 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: 21.836 ± 0.003 Å
• b: 5.6444 ± 0.0007 Å
• c: 22.146 ± 0.003 Å
• α: 90°
• β: 109.339 ± 0.002°
• γ: 90°
• Cell volume: 2575.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.1178
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No