Information card for entry 1546586

Structure parameters

• Formula: C20 H16 N4 O2
• Calculated formula: C20 H16 N2 O2
• SMILES: Oc1c(/N=C/c2ccc(cc2)/C=N/c2ccccc2O)cccc1
• Title of publication: A novel terephthalaldehyde based turn-on fluorescent chemosensor for Cu2+ and its application in living cells imaging
• Authors of publication: Kuwar, Anil; Torawane, Pritam D.; Keshav, Karunesh; Kumawat, Mukesh Kumar; Srivastava, Rohit; thangaraj, anand; Sahoo, Suban K.; Borse, Amulrao Uttamrao
• Journal of publication: Photochem. Photobiol. Sci.
• Year of publication: 2017
• a: 8.473 ± 0.005 Å
• b: 5.922 ± 0.005 Å
• c: 15.324 ± 0.005 Å
• α: 90 ± 0.005°
• β: 91.525 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 768.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No