Information card for entry 7238459

Structure parameters

• Formula: C30 H28 S2
• Calculated formula: C30 H28 S2
• 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: 6.2158 ± 0.0004 Å
• b: 7.6037 ± 0.0005 Å
• c: 13.2115 ± 0.001 Å
• α: 102.29 ± 0.002°
• β: 93.687 ± 0.002°
• γ: 97.016 ± 0.002°
• Cell volume: 602.91 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No