Information card for entry 7238457

Structure parameters

• Formula: C30 H30 O4 S
• Calculated formula: C30 H30 O4 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: 16.462 ± 0.0008 Å
• b: 7.2069 ± 0.0003 Å
• c: 23.1514 ± 0.0014 Å
• α: 90°
• β: 107.172 ± 0.006°
• γ: 90°
• Cell volume: 2624.2 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1261
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No