Information card for entry 2238701

Structure parameters

• Chemical name: 2,3-Bis(furan-2-yl)pyrazino[2,3-<i>f</i>][1,10]phenanthroline
• Formula: C22 H12 N4 O2
• Calculated formula: C22 H12 N4 O2
• SMILES: c1coc(c1)c1nc2c(nc1c1ccco1)c1cccnc1c1c2cccn1
• Title of publication: 2,3-Bis(furan-2-yl)pyrazino[2,3-<i>f</i>][1,10]phenanthroline
• Authors of publication: Dong, Wen-xian; Tong, Rong-rong; Zheng, Chang-ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1613
• a: 7.0994 ± 0.0014 Å
• b: 25.014 ± 0.005 Å
• c: 9.4083 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1670.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No