Information card for entry 7218744

Structure parameters

• Common name: BEDT-TTP
• Formula: C14 H8 S12
• Calculated formula: C14 H8 S12
• Title of publication: Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties
• Authors of publication: Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 787
• a: 11.955 ± 0.002 Å
• b: 5.8261 ± 0.001 Å
• c: 29.396 ± 0.005 Å
• α: 90°
• β: 90.861 ± 0.002°
• γ: 90°
• Cell volume: 2047.2 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No