Information card for entry 2203873

Structure parameters

• Chemical name: 1-Ethyl-4-phenylethyl-1,4-dihydroquinoxaline-2,3-dione
• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• SMILES: O=C1N(c2c(N(C1=O)CCc1ccccc1)cccc2)CC
• Title of publication: 1-Ethyl-4-phenylethyl-1,4-dihydroquinoxaline-2,3-dione
• Authors of publication: Mehmet Akkurt; Sema Öztürk; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1266 - o1268
• a: 13.369 ± 0.005 Å
• b: 15.31 ± 0.005 Å
• c: 14.69 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3006.7 ± 1.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1576
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No