Information card for entry 7232583

Structure parameters

• Formula: C16 H13 Br2 Cl2 N3 O2
• Calculated formula: C16 H13 Br2 Cl2 N3 O2
• Title of publication: Fluorination and chlorination effects on quinoxalineimides as an electron-deficient building block for n-channel organic semiconductors
• Authors of publication: Hasegawa, Tsukasa; Ashizawa, Minoru; Kawauchi, Susumu; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 19
• Pages of publication: 10807
• a: 14.8869 ± 0.0003 Å
• b: 16.2742 ± 0.0003 Å
• c: 7.568 ± 0.00014 Å
• α: 90°
• β: 105.434 ± 0.0008°
• γ: 90°
• Cell volume: 1767.4 ± 0.06 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No