Information card for entry 7225354

Structure parameters

• Formula: C28 H18 N6
• Calculated formula: C28 H18 N6
• SMILES: c1cccc2c1[nH]c1c3ccccc3[nH]c21.N#CC(C#N)=C1C=C(C(=C(C#N)C#N)C=C1C)C
• Title of publication: Air-stable ambipolar organic transistors based on charge-transfer complexes containing dibenzopyrrolopyrrole
• Authors of publication: Fujisue, Chika; Kadoya, Tomofumi; Higashino, Toshiki; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.0445 ± 0.0003 Å
• b: 8.9964 ± 0.0004 Å
• c: 9.7681 ± 0.0004 Å
• α: 74.396 ± 0.002°
• β: 71.111 ± 0.003°
• γ: 65.2771 ± 0.0017°
• Cell volume: 525.56 ± 0.04 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.2731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No