Information card for entry 7160241

Structure parameters

• Formula: C16 H22 N2 O4
• Calculated formula: C16 H22 N2 O4
• Title of publication: The study of the photochemical behavior of 5-aryl-2,3-dihydropyrazine 1,4-dioxides.
• Authors of publication: Bakuleva, Nadezhda A.; Lichitskii, Boris V.; Komogortsev, Andrey N.; Tretyakov, Evgeny V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 2
• Pages of publication: 369 - 376
• a: 10.769 ± 0.0001 Å
• b: 12.767 ± 0.0002 Å
• c: 22.6802 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3118.25 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0375
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No