Information card for entry 7060448

Structure parameters

• Formula: C20 H20 N4 O4
• Calculated formula: C20 H20 N4 O4
• SMILES: o1c(=O)c(c(O)c2c1cc(N(CC)CC)cc2)/C=N/NC(=O)c1ccncc1
• Title of publication: A new 7-diethylamino-4-hydroxycoumarin based reversible colorimetric/fluorometric probe for sequential detection of Al3+/PPi and its potential use in biodetection and bioimaging applications
• Authors of publication: Mathivanan, Moorthy; Tharmalingam, Balamurugan; Devaraj, Thangaraj; Murugan, Abinayaselvi; Lin, Chia-Her; Jothi, Mathivanan; Murugesapandian, Balasubramanian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 6067 - 6079
• a: 4.9758 ± 0.0002 Å
• b: 13.6254 ± 0.0005 Å
• c: 15.0972 ± 0.0006 Å
• α: 63.661 ± 0.001°
• β: 84.372 ± 0.001°
• γ: 82.324 ± 0.001°
• Cell volume: 908.2 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2355
• Weighted residual factors for all reflections included in the refinement: 0.2509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No