Information card for entry 7151797

Structure parameters

• Formula: C21 H18 Cl2 N4 O2 Zn
• Calculated formula: C21 H18 Cl2 N4 O2 Zn
• SMILES: [Zn]1(Cl)(Cl)[NH](CC(=O)Nc2c(c3oc4ccccc4n3)cccc2)Cc2[n]1cccc2
• Title of publication: An 2-(2'-aminophenyl)benzoxazole-based OFF-ON fluorescent chemosensor for Zn2+ in aqueous solution.
• Authors of publication: Chen, Maliang; Lv, Xin; Liu, Yunlong; Zhao, Yun; Liu, Jing; Wang, Pi; Guo, Wei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 2345 - 2349
• a: 8.6993 ± 0.0017 Å
• b: 10.744 ± 0.002 Å
• c: 11.593 ± 0.002 Å
• α: 75.65 ± 0.03°
• β: 74.28 ± 0.03°
• γ: 86.28 ± 0.03°
• Cell volume: 1010.5 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.038
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1052
• 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