Information card for entry 7218714

Structure parameters

• Chemical name: Complex of Zn-acetate with (E)-3-{[2-(2-aminoethyl)pyridine]- phenylmethylidene}-1,4-dihydro-2H-1-phenylpyrrolo[2,3-b]quinoxalin- 2-one and acetonitrile solvent molecules in the ratio 1:1:1
• Formula: C34 H28 N6 O3 Zn
• Calculated formula: C34 H28 N6 O3 Zn
• Title of publication: Pyrrolo[2,3-b]quinoxaline with 2-(2-aminoethyl)pyridine chain highly selective fluorescent receptor for Zn2+exhibiting a dual fluorescence and AIEE in crystalline state
• Authors of publication: Ostrowska, Katarzyna; Dudek, Łukasz; Grolik, Jarosław; Gryl, Marlena; Stadnicka, Katarzyna
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 498
• a: 13.78516 ± 0.00008 Å
• b: 14.11066 ± 0.00008 Å
• c: 15.45815 ± 0.00009 Å
• α: 90°
• β: 101.358 ± 0.0005°
• γ: 90°
• Cell volume: 2948 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No