Information card for entry 1549748

Structure parameters

• Formula: C48 H35 N3 O2
• Calculated formula: C48 H35 N3 O2
• SMILES: O(c1c2nc(/C=C/c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)ccc2ccc1)CC(=O)Nc1cccc2cccnc12
• Title of publication: Two new quinoline-based regenerable fluorescent probes with AIE characteristics for selective recognition of Cu²⁺ in aqueous solution and test strips.
• Authors of publication: Xiong, Jingwen; Li, Zongzhi; Tan, Jihua; Ji, Shaomin; Sun, Jianwei; Li, Xianwei; Huo, Yanping
• Journal of publication: The Analyst
• Year of publication: 2018
• Journal volume: 143
• Journal issue: 20
• Pages of publication: 4870 - 4886
• a: 7.9859 ± 0.0002 Å
• b: 19.6476 ± 0.0005 Å
• c: 23.8539 ± 0.0006 Å
• α: 90°
• β: 106.74 ± 0.002°
• γ: 90°
• Cell volume: 3584.15 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0651
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No