Information card for entry 2231192

Structure parameters

• Chemical name: 1,1,2,2-Tetrakis(1,3-benzoxazol-2-yl)ethene
• Formula: C30 H16 N4 O4
• Calculated formula: C30 H16 N4 O4
• SMILES: c1ccc2c(c1)oc(n2)C(=C(c1nc2c(o1)cccc2)c1nc2c(o1)cccc2)c1nc2c(o1)cccc2
• Title of publication: 1,1,2,2-Tetrakis(1,3-benzoxazol-2-yl)ethene
• Authors of publication: Hagos, Tesfamariam K.; Nogai, Stefan D.; Dobrzańska, Liliana; Cronje, Stephanie; Raubenheimer, Helgard G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2014
• a: 9.2697 ± 0.0009 Å
• b: 16.1943 ± 0.0016 Å
• c: 8.0332 ± 0.0008 Å
• α: 90°
• β: 104.395 ± 0.002°
• γ: 90°
• Cell volume: 1168.1 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes