Information card for entry 7126827

Structure parameters

• Common name: DCDNF
• Formula: C15 H4 N4 O5
• Calculated formula: C15 H4 N4 O5
• SMILES: O=C1c2cc(cc(N(=O)=O)c2c2c(N(=O)=O)cc(cc12)C#N)C#N
• Title of publication: Nitroaromatics as n-type organic semiconductors for field effect transistors.
• Authors of publication: Niazi, Muhammad Rizwan; Hamzehpoor, Ehsan; Ghamari, Pegah; Perepichka, Igor F.; Perepichka, Dmitrii F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 47
• Pages of publication: 6432 - 6435
• a: 7.8806 ± 0.0003 Å
• b: 8.6623 ± 0.0003 Å
• c: 19.524 ± 0.0007 Å
• α: 90°
• β: 95.543 ± 0.001°
• γ: 90°
• Cell volume: 1326.56 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0334
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No