Information card for entry 7707448

Structure parameters

• Formula: C18 H16 N4 O2
• Calculated formula: C18 H16 N4 O2
• SMILES: O=c1[nH]c2c(cc1/C=N/NC(=O)Nc1ccccc1)cc(cc2)C
• Title of publication: Dual sensing of methionine and aspartic acid in aqueous medium by a quinoline-based fluorescent probe.
• Authors of publication: Elamathi, C.; Butcher, R. J.; Mohankumar, A.; Sundararaj, P.; Elango, K. P.; Kalaivani, P.; Prabhakaran, R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 25
• Pages of publication: 8820 - 8830
• a: 20.266 ± 0.002 Å
• b: 20.266 ± 0.002 Å
• c: 20.0904 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7145.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.2135
• Residual factor for significantly intense reflections: 0.1351
• Weighted residual factors for significantly intense reflections: 0.3388
• Weighted residual factors for all reflections included in the refinement: 0.3987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No