Information card for entry 4337645

Structure parameters

• Common name: 1,8-AQ.3Aniline
• Formula: C28 H26 N4 O10
• Calculated formula: C28 H26 N4 O10
• SMILES: c12cccc3C(=O)c4cccc(c4/C(=N/Nc4ccc(cc4N(=O)=O)N(=O)=O)c13)OCCOCCOCCOCCO2
• Title of publication: Selective Fluorescence Sensing of Copper(II) and Water via Competing Imine Hydrolysis and Alcohol Oxidation Pathways Sensitive to Water Content in Aqueous Acetonitrile Mixtures.
• Authors of publication: Mariappan, Kadarkaraisamy; Alaparthi, Madhubabu; Caple, Gerald; Balasubramanian, Vinothini; Hoffman, Mariah M.; Hudspeth, Mikaela; Sykes, Andrew G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2953 - 2962
• a: 11.8044 ± 0.0019 Å
• b: 15.699 ± 0.003 Å
• c: 14.329 ± 0.002 Å
• α: 90°
• β: 94.249 ± 0.002°
• γ: 90°
• Cell volume: 2648.1 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No