Information card for entry 1505603

Structure parameters

• Formula: C51 H54 Cl2 N8 O17 Zn2
• Calculated formula: C51 H54 Cl2 N8 O17 Zn2
• SMILES: [Zn]12345[O](c6c7c(ccc6)ccc([n]17)C[N]5(Cc1[n]3cccc1)Cc1[n]4cccc1)CC(=O)O2.Cl(=O)(=O)(=O)[O-].OC.OC
• Title of publication: A water-soluble, small molecular fluorescent sensor with femtomolar sensitivity for zinc ion.
• Authors of publication: Wang, Huan-Huan; Gan, Quan; Wang, Xiao-Jun; Xue, Lin; Liu, Sheng-Hua; Jiang, Hua
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 24
• Pages of publication: 4995 - 4998
• a: 10.448 ± 0.0002 Å
• b: 12.9271 ± 0.0003 Å
• c: 22.4611 ± 0.0005 Å
• α: 97.74 ± 0.001°
• β: 90.629 ± 0.001°
• γ: 109.354 ± 0.001°
• Cell volume: 2831.12 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No