Information card for entry 7051092

Structure parameters

• Formula: C48 H48 N4 O4
• Calculated formula: C48 H48 N4 O4
• SMILES: O=C(c1ccccc1)/C=C1\N[C@H]2CCCC[C@@H]2NC1=C\C(=O)c1ccccc1
• Title of publication: Solution, solid state structure and fluorescence studies of 2,3-functionalized quinoxalines: evidence for a π-delocalized keto-enamine form with N‒H···O intramolecular hydrogen bonds
• Authors of publication: Touzani, Rachid; Ben-Hadda, Taibi; Elkadiri, Sghir; Ramdani, Abdelkrim; Maury, Olivier; Le Bozec, Hubert; Toupet, Loic; Dixneuf, Pierre H.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 391
• a: 11.008 ± 0.003 Å
• b: 18.305 ± 0.003 Å
• c: 10.524 ± 0.006 Å
• α: 90°
• β: 109.91 ± 0.03°
• γ: 90°
• Cell volume: 1993.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2081
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No