Information card for entry 7225908

Structure parameters

• Common name: BDHN-TTF
• Chemical name: bis(4,5-dihydronaphto[1,2-d])tetrathiafulvalene
• Formula: C22 H16 S4
• Calculated formula: C22 H16 S4
• SMILES: C1(/SC2=C(S1)CCc1c2cccc1)=C1\SC2=C(S1)CCc1c2cccc1
• Title of publication: Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors.
• Authors of publication: Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.; Rovira, Concepció; Mas-Torrent, Marta
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 33
• Pages of publication: 6149 - 6152
• a: 16.1748 ± 0.0018 Å
• b: 7.7639 ± 0.0009 Å
• c: 7.539 ± 0.0008 Å
• α: 90°
• β: 91.191 ± 0.002°
• γ: 90°
• Cell volume: 946.54 ± 0.18 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 3
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No