Information card for entry 1546653

Structure parameters

• Chemical name: 1,4-Di-<i>n</i>-octyl-1,2,3,4-tetrahydroquinoxaline-2,3-dione
• Formula: C24 H38 N2 O2
• Calculated formula: C24 H38 N2 O2
• SMILES: O=C1N(c2c(N(C1=O)CCCCCCCC)cccc2)CCCCCCCC
• Title of publication: 1,4-Di-<i>n</i>-octyl-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: 4
• Pages of publication: x170520
• a: 26.407 ± 0.001 Å
• b: 14.3718 ± 0.0005 Å
• c: 12.9624 ± 0.0005 Å
• α: 90°
• β: 108.312 ± 0.002°
• γ: 90°
• Cell volume: 4670.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1128
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes