Information card for entry 2226378

Structure parameters

• Chemical name: 2,3-Diphenylquinoxalin-1-ium chloride
• Formula: C20 H15 Cl N2
• Calculated formula: C20 H15 Cl N2
• SMILES: [Cl-].c1(c2ccccc2)c(c2ccccc2)nc2c(cccc2)[nH+]1
• Title of publication: 2,3-Diphenylquinoxalin-1-ium chloride
• Authors of publication: Wu, Wen-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1807
• a: 10.498 ± 0.003 Å
• b: 14.773 ± 0.005 Å
• c: 11.359 ± 0.004 Å
• α: 90°
• β: 112.692 ± 0.003°
• γ: 90°
• Cell volume: 1625.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0507
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes