Information card for entry 4346449

Structure parameters

• Chemical name: (E)-3-[(pyridin-2-ylamino)phenylmethylidene]-1,3-dihydro-2H- 1-phenylpyrrolo[2,3-b]quinoxalin-2-one
• Formula: C28 H19 N5 O
• Calculated formula: C28 H19 N5 O
• SMILES: N1(C(=O)/C(c2nc3ccccc3nc12)=C(/Nc1ccccn1)c1ccccc1)c1ccccc1
• Title of publication: Chelate Ring Size Effect as a Factor of Selective Fluorescent Recognition of Zn(2+) Ions by Pyrrolo[2,3-b]quinoxaline with a Substituted 2-Pyridyl Group Receptor.
• Authors of publication: Ostrowska, Katarzyna; Musielak, Bogdan; Szneler, Edward; Dudek, Łukasz; Gryl, Marlena; Stadnicka, Katarzyna
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8423 - 8435
• a: 11.2768 ± 0.0007 Å
• b: 6.4518 ± 0.0003 Å
• c: 15.123 ± 0.0007 Å
• α: 90°
• β: 105.614 ± 0.006°
• γ: 90°
• Cell volume: 1059.68 ± 0.1 ų
• Cell temperature: 104.9 ± 0.4 K
• Ambient diffraction temperature: 104.9 ± 0.4 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: 0.0676
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No