Information card for entry 1570152

Structure parameters

• Formula: C26 H24 N2 S
• Calculated formula: C26 H24 N2 S
• SMILES: c1(ccc2ccccc2c1)/C=N/CCSCC/N=C/c1cc2ccccc2cc1
• Title of publication: Turn-on detection of Al³⁺ and Zn²⁺ ions by a NSN donor probe: reversibility, logic gates and DFT calculations.
• Authors of publication: Naithani, Sudhanshu; Goswami, Nidhi; Singh, Sain; Yadav, Vikas; Kumar, Sanjay; Kumar, Pramod; Kumar, Amit; Goswami, Tapas; Kumar, Sushil
• Journal of publication: Analytical methods : advancing methods and applications
• Year of publication: 2023
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 6021 - 6030
• a: 5.7751 ± 0.0006 Å
• b: 46.275 ± 0.003 Å
• c: 7.778 ± 0.0008 Å
• α: 90°
• β: 90.655 ± 0.01°
• γ: 90°
• Cell volume: 2078.5 ± 0.3 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: 0.1694
• Residual factor for significantly intense reflections: 0.1178
• Weighted residual factors for significantly intense reflections: 0.3025
• Weighted residual factors for all reflections included in the refinement: 0.3474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No