Information card for entry 4346448

Structure parameters

• Chemical name: (Z)-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: O=C1N(c2c(/C1=C(/Nc1ccccn1)c1ccccc1)nc1ccccc1n2)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: 11.6851 ± 0.0002 Å
• b: 11.2288 ± 0.0002 Å
• c: 16.2568 ± 0.0002 Å
• α: 90°
• β: 99.62 ± 0.002°
• γ: 90°
• Cell volume: 2103.05 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No