Information card for entry 7218267

Structure parameters

• Chemical name: 2-(BEDT-TTF)ethyl thiophene-2-carboxylate
• Formula: C17 H14 O2 S9
• Calculated formula: C17 H14 O2 S9
• Title of publication: A structural investigation of novel thiophene-functionalized BEDT-TTF donors for application as organic field-effect transistors
• Authors of publication: Wang, Qiang; Wallis, John D.; Wu, Yiliang; Pilkington, Melanie
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 44
• Pages of publication: 10235
• a: 37.303 ± 0.0017 Å
• b: 8.9433 ± 0.0004 Å
• c: 12.9288 ± 0.0006 Å
• α: 90°
• β: 100.327 ± 0.002°
• γ: 90°
• Cell volume: 4243.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No