Information card for entry 7226829

Structure parameters

• Formula: C14 H12 N2 O3
• Calculated formula: C14 H12 N2 O3
• SMILES: c1(ccccc1)N=Nc1cc(OC)c(O)c(c1)C=O
• Title of publication: A Robust Fluorescent Chemosensor for Aluminium Ion Detection Based on Schiff base Ligand with Azo Arm and Application in Molecular Logic Gate
• Authors of publication: Banerjee, Saikat; Brandao, Paula; Saha, Amrita
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.7683 ± 0.0004 Å
• b: 13.4401 ± 0.0005 Å
• c: 8.4892 ± 0.0003 Å
• α: 90°
• β: 93.755 ± 0.002°
• γ: 90°
• Cell volume: 1225.98 ± 0.08 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No