Information card for entry 7155068

Structure parameters

• Common name: dimethyl quinoxaline dicarboxylate
• Chemical name: Dimethyl 5,8-dimethylquinoxaline-2,3-dicarboxylate
• Formula: C14 H14 N2 O4
• Calculated formula: C14 H14 N2 O4
• SMILES: c1(nc2c(nc1C(=O)OC)c(ccc2C)C)C(=O)OC
• Title of publication: Hypervalent iodine(iii)-promoted N-incorporation into N-aryl vinylogous carbamates to quinoxaline diesters: access to 1,4,5,8-tetraazaphenanthrene.
• Authors of publication: Sagar, A.; Vidaycharan, Shinde; Shinde, Anand H.; Sharada, Duddu S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 17
• Pages of publication: 4018 - 4022
• a: 8.2596 ± 0.0012 Å
• b: 8.9504 ± 0.0013 Å
• c: 10.0044 ± 0.0015 Å
• α: 75.628 ± 0.013°
• β: 72.518 ± 0.013°
• γ: 85.932 ± 0.012°
• Cell volume: 683.35 ± 0.18 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1126
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No