Information card for entry 7126452

Structure parameters

• Formula: C14 H5 N3 O5
• Calculated formula: C14 H5 N3 O5
• 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: 5.0814 ± 0.0002 Å
• b: 6.9825 ± 0.0003 Å
• c: 17.0804 ± 0.0008 Å
• α: 90°
• β: 93.994 ± 0.002°
• γ: 90°
• Cell volume: 604.56 ± 0.05 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No