Information card for entry 4000919

Structure parameters

• Common name: DADK
• Chemical name: DADK
• Formula: C38 H20 N2 O2
• Calculated formula: C38 H20 N2 O2
• SMILES: O=C1c2ccccc2c2c1c(c1ccccc1)c1c(n2)cc2c(c1)nc1c(c2c2ccccc2)C(=O)c2c1cccc2
• Title of publication: Novel n-Type Conjugated Ladder Heteroarenes: Synthesis, Self-Assembly of Nanowires, Electron Transport, and Electroluminescence of Bisindenoanthrazolines
• Authors of publication: Ahmed, Eilaf; Earmme, Taeshik; Ren, Guoqiang; Jenekhe, Samson A.
• Journal of publication: Chemistry of Materials
• Year of publication: 2010
• Journal volume: 22
• Journal issue: 20
• Pages of publication: 5786
• a: 7.1904 ± 0.0003 Å
• b: 27.9435 ± 0.0005 Å
• c: 13.7 ± 0.0015 Å
• α: 90°
• β: 108.429 ± 0.0014°
• γ: 90°
• Cell volume: 2611.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.13
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No