Information card for entry 2211173

Structure parameters

• Chemical name: 1,4-Diamino-1,4-di-2-quinolyl-2,3-diaza-1,3-butadiene
• Formula: C20 H16 N6
• Calculated formula: C20 H16 N6
• SMILES: NC(=N\N=C(\c1ccc2c(n1)cccc2)N)/c1ccc2c(n1)cccc2
• Title of publication: 1,4-Diamino-1,4-di-2-quinolyl-2,3-diaza-1,3-butadiene
• Authors of publication: Ren-Hui, Xu; Jun, Zhou; Yan, Xu; Li, Qi; Dun-Ru, Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5234 - o5235
• a: 17.275 ± 0.011 Å
• b: 5.925 ± 0.004 Å
• c: 8.052 ± 0.005 Å
• α: 90°
• β: 93.041 ± 0.013°
• γ: 90°
• Cell volume: 823 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1168
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No