Information card for entry 2229896

Structure parameters

• Chemical name: 4,4',5,5'-Tetrakis(benzylsulfanyl)tetrathiafulvalene
• Formula: C34 H28 S8
• Calculated formula: C34 H28 S8
• SMILES: c1ccc(cc1)CSC1=C(SCc2ccccc2)SC(=C2SC(=C(S2)SCc2ccccc2)SCc2ccccc2)S1
• Title of publication: 4,4',5,5'-Tetrakis(benzylsulfanyl)tetrathiafulvalene
• Authors of publication: Yu, Cheng-Xiang; Zhu, Yu-Lan; Chen, Zhao-Xiang; Lu, Ming-Zhu; Wang, Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o821
• a: 5.745 ± 0.0007 Å
• b: 17.052 ± 0.002 Å
• c: 18.701 ± 0.003 Å
• α: 115.199 ± 0.002°
• β: 95.238 ± 0.002°
• γ: 95.922 ± 0.002°
• Cell volume: 1630.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0911
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes