Information card for entry 7024530

Structure parameters

• Formula: C85 H56 Cl2 N12
• Calculated formula: C85 H56 Cl2 N12
• SMILES: ClCCl.c1(c(c(c(c(c1c1ccc(cc1)n1cnc2ccccc12)c1ccc(cc1)n1cnc2ccccc12)c1ccc(cc1)n1cnc2ccccc12)c1ccc(cc1)n1cnc2ccccc12)c1ccc(cc1)n1cnc2ccccc12)c1ccc(cc1)n1cnc2ccccc12
• Title of publication: Linear and star-shaped benzimidazolyl derivatives: syntheses, photophysical properties and use as highly efficient electron transport materials in OLEDs.
• Authors of publication: White, Wade; Hudson, Zachary M.; Feng, Xiaodong; Han, Sijin; Lu, Zheng-Hong; Wang, Suning
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 892 - 899
• a: 13.2011 ± 0.0016 Å
• b: 9.2379 ± 0.0011 Å
• c: 56.398 ± 0.007 Å
• α: 90°
• β: 93.021 ± 0.001°
• γ: 90°
• Cell volume: 6868.2 ± 1.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.114
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2432
• Weighted residual factors for all reflections included in the refinement: 0.2554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No