Information card for entry 4335419

Structure parameters

• Formula: C16 H12 N2 O2
• Calculated formula: C16 H12 N2 O2
• SMILES: C1(=O)C=Cc2ccccc2/C1=C/Nc1c(cccn1)O
• Title of publication: A Highly Selective Fluorescent Chemosensor for AlIII Ion and Fluorescent Species Formed in the Solution
• Authors of publication: Wei-Hua Ding; Wei, Cao; Xiang-Jun Zheng; De-Cai Fang; Wing-Tak Wong; Lin-Pei Jin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7320 - 7322
• a: 8.7918 ± 0.0019 Å
• b: 5.902 ± 0.0013 Å
• c: 12.126 ± 0.003 Å
• α: 90°
• β: 90.288 ± 0.004°
• γ: 90°
• Cell volume: 629.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No