Information card for entry 2201748

Structure parameters

• Chemical name: 2,2'-bis(1-ethylbenzimidazol-2-yl)biphenyl
• Formula: C30 H26 N4
• Calculated formula: C30 H26 N4
• SMILES: n1(c(nc2ccccc12)c1c(cccc1)c1c(c2nc3c(n2CC)cccc3)cccc1)CC
• Title of publication: 2,2'-Bis(1-ethylbenzimidazol-2-yl)biphenyl
• Authors of publication: Robert T. Stibrany; Harvey J. Schugar; Joseph A. Potenza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o693 - o695
• a: 12.0156 ± 0.0006 Å
• b: 10.7001 ± 0.0006 Å
• c: 18.628 ± 0.0009 Å
• α: 90°
• β: 95.177 ± 0.004°
• γ: 90°
• Cell volume: 2385.2 ± 0.2 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 273 ± 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: 0.0801
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes