Information card for entry 2007725

Structure parameters

• Formula: C16 H6 S2
• Calculated formula: C16 H6 S2
• Title of publication: 1,8-Bis(2-thienyl)-1,3,5,7-octatetrayne
• Authors of publication: Sarkar, Abhijit; Komatsu, Kyoji; Okada, Shuji; Matsuda, Hiro; Nakanishi, Hachiro
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1519 - 1521
• a: 10.005 ± 0.002 Å
• b: 16.556 ± 0.002 Å
• c: 3.927 ± 0.001 Å
• α: 90°
• β: 99.26 ± 0.01°
• γ: 90°
• Cell volume: 642 ± 0.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 1.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No