Information card for entry 7055088

Structure parameters

• Formula: C24 H24 N4 O4 S2
• Calculated formula: C24 H24 N4 O4 S2
• SMILES: s1c2ccccc2nc1c1cc(cc(c1O)/C=N/NC(=O)c1nc(ccc1)CO)C.S(=O)(C)C
• Title of publication: ESIPT and CHEF based highly sensitive and selective ratiometric sensor for Al3+with imaging in human blood cells
• Authors of publication: Das, Sangita; Goswami, Shyamaprosad; Aich, Krishnendu; Ghoshal, Kakali; Quah, Ching Kheng; Bhattacharyya, Maitree; Fun, Hoong-Kun
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 8582
• a: 23.177 ± 0.005 Å
• b: 8.5606 ± 0.0017 Å
• c: 23.924 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4746.7 ± 1.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1569
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No