Information card for entry 7247024

Structure parameters

• Formula: C28 H23 N5 O
• Calculated formula: C28 H23 N5 O
• SMILES: n1(c2c(c3c1ccc(n1c4ccccc4nc1)c3)cc(n1cnc3c1cccc3)cc2)C.OC
• Title of publication: A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions
• Authors of publication: Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 32
• Pages of publication: 4531 - 4538
• a: 17.7843 ± 0.0002 Å
• b: 34.8725 ± 0.0004 Å
• c: 7.54963 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4682.15 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No