Information card for entry 2235013

Structure parameters

• Chemical name: 2-(4-Fluorophenyl)quinoxaline
• Formula: C14 H9 F N2
• Calculated formula: C14 H9 F N2
• SMILES: Fc1ccc(c2nc3ccccc3nc2)cc1
• Title of publication: 2-(4-Fluorophenyl)quinoxaline
• Authors of publication: Wang, Cui-Ping; Ma, Saiyong; Yu, Jiang-Long; Yan, Jing-Bo; Zhang, Zhi-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1779
• a: 24.249 ± 0.013 Å
• b: 3.7925 ± 0.0019 Å
• c: 22.609 ± 0.013 Å
• α: 90°
• β: 91.866 ± 0.009°
• γ: 90°
• Cell volume: 2078.1 ± 1.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes