Information card for entry 7230038

Structure parameters

• Formula: C16 H20 N4 O4
• Calculated formula: C16 H20 N4 O4
• Title of publication: Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly
• Authors of publication: Fan, Qiangwen; Duan, Xiaowei; Yan, Hong
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 8
• Pages of publication: 1151
• a: 12.177 ± 0.002 Å
• b: 10.283 ± 0.002 Å
• c: 24.918 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3120.1 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No