Information card for entry 2205543

Structure parameters

• Chemical name: 2,3-Bis(5-bromothien-2-yl)-6,7-dichloroquinoxaline
• Formula: C16 H6 Br2 Cl2 N2 S2
• Calculated formula: C16 H6 Br2 Cl2 N2 S2
• SMILES: Brc1sc(c2nc3c(nc2c2sc(Br)cc2)cc(Cl)c(Cl)c3)cc1
• Title of publication: 2,3-Bis(5-bromo-2-thienyl)-6,7-dichloroquinoxaline
• Authors of publication: Stacy, Vanessa; Crundwell, Guy; Updegraff III, James B.; Zeller, Matthias; Hunter, Allen D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o904 - o905
• a: 20.2456 ± 0.0006 Å
• b: 20.2456 ± 0.0006 Å
• c: 8.5209 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3492.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes