Information card for entry 7007453

Structure parameters

• Formula: C36 H32 N6 O4
• Calculated formula: C36 H32 N6 O4
• SMILES: n1c2c(ccc1/C=N/NC(=O)c1ccccc1c1ccccc1C(=O)N/N=C/c1nc3c(cc1)cccc3)cccc2.OC.CO
• Title of publication: Quinoline-based molecular clips for selective fluorescent detection of Zn2+.
• Authors of publication: Wu, Da-Yu; Xie, Li-Xia; Zhang, Chang-Li; Duan, Chun-Ying; Zhao, Yong-Gang; Guo, Zi-Jian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 29
• Pages of publication: 3528 - 3533
• a: 10.93 ± 0.002 Å
• b: 12.558 ± 0.002 Å
• c: 22.71 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3117.2 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1774
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No