Information card for entry 1546659

Structure parameters

• Chemical name: 1,4-Dihexyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione
• Formula: C20 H30 N2 O2
• Calculated formula: C20 H30 N2 O2
• SMILES: O=C1N(c2ccccc2N(C1=O)CCCCCC)CCCCCC
• Title of publication: 1,4-Dihexyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione
• Authors of publication: El Bourakadi, Khadija; El Bakri, Youness; Sebhaoui, Jihad; Rayni, Ibtissam; Essassi, El Mokhtar; Mague, Joel T.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 7
• Pages of publication: x171019
• a: 13.357 ± 0.003 Å
• b: 9.209 ± 0.002 Å
• c: 16.743 ± 0.004 Å
• α: 90°
• β: 113.277 ± 0.003°
• γ: 90°
• Cell volume: 1891.8 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes