Information card for entry 7026815

Structure parameters

• Formula: C33 H30 N6 O3
• Calculated formula: C33 H30 N6 O3
• SMILES: c12ccccc1nc(c(c1ccc(/C=N/c3ccc(cc3)OC)[nH]1)n2)c1ccc(/C=N/c2ccc(cc2)OC)[nH]1.CO
• Title of publication: A novel class of Cd(II), Hg(II) turn-on and Cu(II), Zn(II) turn-off Schiff base fluorescent probes.
• Authors of publication: Hu, Yuan; Li, Qian-qian; Li, Hua; Guo, Qian-ni; Lu, Yun-guo; Li, Zao-ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 47
• Pages of publication: 11344 - 11352
• a: 22.061 ± 0.005 Å
• b: 7.7536 ± 0.0018 Å
• c: 17.062 ± 0.004 Å
• α: 90°
• β: 100.265 ± 0.004°
• γ: 90°
• Cell volume: 2871.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0728
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No