Information card for entry 7219834

Structure parameters

• Formula: C13 H9 N5 O7
• Calculated formula: C13 H9 N5 O7
• SMILES: Oc1ccc(N(=O)=O)cc1/C=N/Nc1ccc(N(=O)=O)cc1N(=O)=O
• Title of publication: Recognition of fluoride anion at low ppm level inside living cell and from fluorosis affected tooth and saliva samples
• Authors of publication: Ghosh, Pritam; Roy, Biswajit Gopal; Mukhopadhyay, Subhra Kanti; Banerjee, Priyabrata
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.745 ± 0.005 Å
• b: 8.223 ± 0.005 Å
• c: 13.91 ± 0.005 Å
• α: 90°
• β: 112.259 ± 0.005°
• γ: 90°
• Cell volume: 1349.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0369
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No