Information card for entry 2225704

Structure parameters

• Chemical name: (<i>E</i>)-1,2-Bis(1-allylbenzimidazol-2-yl)ethene
• Formula: C22 H20 N4
• Calculated formula: C22 H20 N4
• SMILES: C=CCn1c(/C=C/c2nc3c(n2CC=C)cccc3)nc2c1cccc2
• Title of publication: (<i>E</i>)-1,2-Bis(1-allylbenzimidazol-2-yl)ethene
• Authors of publication: Chen, Li-Zhuang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o764
• a: 11.008 ± 0.002 Å
• b: 13.884 ± 0.003 Å
• c: 12.54 ± 0.003 Å
• α: 90°
• β: 106.98 ± 0.03°
• γ: 90°
• Cell volume: 1833 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes