Information card for entry 1549394

Structure parameters

• Chemical name: Ethyl 2-[(2<i>E</i>)-4-decyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylidene]acetate
• Formula: C22 H32 N2 O3
• Calculated formula: C22 H32 N2 O3
• SMILES: O=C1N(c2ccccc2N/C1=C\C(=O)OCC)CCCCCCCCCC
• Title of publication: Ethyl 2-[(2<i>E</i>)-4-decyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-ylidene]acetate
• Authors of publication: Abad, Nadeem; El Bakri, Youness; Ramli, Youssef; Essassi, El Mokhtar; Mague, Joel T.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 5
• Pages of publication: x180680
• a: 28.061 ± 0.0008 Å
• b: 4.765 ± 0.0001 Å
• c: 15.3667 ± 0.0004 Å
• α: 90°
• β: 91.503 ± 0.001°
• γ: 90°
• Cell volume: 2053.98 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes