Information card for entry 7223555

Structure parameters

• Common name: pyrimidine derivative
• Formula: C20 H18 N4 O4
• Calculated formula: C20 H18 N4 O4
• SMILES: O=C(OCC)C1=C(Nc2nc3ccccc3n2C1c1c(N(=O)=O)cccc1)C
• Title of publication: Selective Recognition of Lithium (I) Ions using Biginelli based Fluorescent Organic Nanoparticles in aqueous medium
• Authors of publication: Kaur, Gaganpreet; Singh, Amanpreet; Venugoplan, Paloth; Singh, Narinder; Kaur, Navneet
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.8274 ± 0.0003 Å
• b: 11.2215 ± 0.0005 Å
• c: 11.4253 ± 0.0005 Å
• α: 71.279 ± 0.002°
• β: 72.2245 ± 0.0018°
• γ: 71.6451 ± 0.0019°
• Cell volume: 878.51 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0734
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No