Information card for entry 2223599

Structure parameters

• Common name: bis(2-thienyl)acetylene
• Chemical name: Bis(2-thienyl)acetylene
• Formula: C10 H6 S2
• Calculated formula: C10 H6 S2
• Title of publication: Bis(2-thienyl)acetylene
• Authors of publication: Harcourt, Emily M.; Lynch, Daniel E.; Hamilton, Darren G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2484
• a: 10.6325 ± 0.0015 Å
• b: 10.8713 ± 0.0015 Å
• c: 7.56 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 873.85 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1587
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes