Information card for entry 7218716

Structure parameters

• Chemical name: (E)-3-{[2-(2-aminoethyl)pyridine]-phenylmethylidene}-1,4-dihydro-2H-1- phenylpyrrolo[2,3-b]quinoxalin-2-one; non centrosymmetric structure containing the molecules with (pR):(pS) configuration ratio = 0.828:0.172
• Formula: C30 H24.32 N5 O1.66
• Calculated formula: C30 H24.322 N5 O1.661
• 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: 5.75094 ± 0.00003 Å
• b: 17.80093 ± 0.00008 Å
• c: 11.63481 ± 0.00006 Å
• α: 90°
• β: 98.7275 ± 0.0005°
• γ: 90°
• Cell volume: 1177.29 ± 0.01 ų
• Cell temperature: 119.9 ± 0.2 K
• Ambient diffraction temperature: 119.9 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No