Information card for entry 7709306

Structure parameters

• Formula: C20 H15 N3 O3
• Calculated formula: C20 H15 N3 O3
• SMILES: o1c2c(c(cc1=O)C)ccc(O)c2/C=N/c1n[nH]c(c2ccccc2)c1
• Title of publication: Idiosyncatic recognition of Zn²⁺ and CN^- using pyrazolyl-hydroxy-coumarin scaffold and live cell imaging: depiction of luminescent Zn(II)-metallocryptand.
• Authors of publication: Paul, Sukanya; Maity, Suvendu; Halder, Satyajit; Dutta, Basudeb; Jana, Srikanta; Jana, Kuladip; Sinha, Chittaranjan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 3198 - 3212
• a: 11.8984 ± 0.001 Å
• b: 12.8002 ± 0.001 Å
• c: 11.1706 ± 0.0009 Å
• α: 90°
• β: 101.831 ± 0.002°
• γ: 90°
• Cell volume: 1665.2 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0671
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No