Information card for entry 7238456

Structure parameters

• Formula: C20 H12 O2 S
• Calculated formula: C20 H12 O2 S
• Title of publication: 2,5-bis(Arylethynyl)thienyl systems: Preparation and photophysical properties. Part II
• Authors of publication: Coombs, Benjamin A.; Rutter, Simon R.; Goeta, Andrés E.; Sparkes, Hazel A.; Batsanov, Andrei S.; Beeby, Andrew
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 5
• Pages of publication: 1870
• a: 14.1518 ± 0.0004 Å
• b: 6.2943 ± 0.0001 Å
• c: 18.7696 ± 0.0005 Å
• α: 90°
• β: 109.741 ± 0.001°
• γ: 90°
• Cell volume: 1573.65 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0719
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No