Information card for entry 4000918

Structure parameters

• Common name: DADF
• Chemical name: DADF
• Formula: C36 H20 N2 O2
• Calculated formula: C36 H20 N2 O2
• SMILES: c1ccc(cc1)c1c2cc3nc4c(c(c3cc2nc2c1oc1c2cccc1)c1ccccc1)oc1c4cccc1
• 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: 14.3821 ± 0.0005 Å
• b: 4.7383 ± 0.0001 Å
• c: 18.2103 ± 0.0008 Å
• α: 90°
• β: 99.526 ± 0.0012°
• γ: 90°
• Cell volume: 1223.86 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 418 ± 2 K
• Number of distinct elements: 4
• 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: 0.0799
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No