Information card for entry 2222446

Structure parameters

• Chemical name: 3-(4-Fluorophenyl)-6-methoxy-2-(4-pyridyl)quinoxaline
• Formula: C20 H14 F N3 O
• Calculated formula: C20 H14 F N3 O
• SMILES: c1(c(nc2ccc(cc2n1)OC)c1ccncc1)c1ccc(cc1)F
• Title of publication: 3-(4-Fluorophenyl)-6-methoxy-2-(4-pyridyl)quinoxaline
• Authors of publication: Jahns, Hartmut; Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1626
• a: 7.3886 ± 0.0004 Å
• b: 12.2071 ± 0.0008 Å
• c: 34.562 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3117.3 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes