Information card for entry 2203996

Structure parameters

• Chemical name: 2,3-dithien-2-ylquinoxalin-1-ium perchlorate
• Formula: C16 H11 Cl N2 O4 S2
• Calculated formula: C16 H11 Cl N2 O4 S2
• SMILES: n1c(c([nH+]c2ccccc12)c1cccs1)c1cccs1.Cl(=O)(=O)(=O)[O-]
• Title of publication: 2,3-Dithien-2-ylquinoxalin-1-ium perchlorate
• Authors of publication: Foss, Paul C. D.; Crundwell, Guy; Updegraff, III, James B.; Zeller, Matthias; Hunter, Allen D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o1281 - o1282
• a: 10.435 ± 0.002 Å
• b: 11.199 ± 0.002 Å
• c: 15.228 ± 0.003 Å
• α: 86.001 ± 0.003°
• β: 73.202 ± 0.003°
• γ: 72.859 ± 0.003°
• Cell volume: 1627.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No