Information card for entry 7226278

Structure parameters

• Common name: TTN4
• Chemical name: TTN4
• Formula: C14 F8 S4
• Calculated formula: C14 F8 S4
• SMILES: C12=C(Sc3c(S1)c(F)c(c(c3F)F)F)Sc1c(c(c(c(c1F)F)F)F)S2
• Title of publication: Aryl-Fused Tetrathianaphthalene (TTN): Synthesis, Structures, Properties, and Cocrystals with Fullerenes
• Authors of publication: Sun, Yantao; Cui, Zili; Chen, Lichuan; Lu, Xiaofeng; Wu, Yuewei; Zhang, Haoli; Shao, Xiangfeng
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.361 ± 0.019 Å
• b: 3.954 ± 0.006 Å
• c: 15.05 ± 0.02 Å
• α: 90°
• β: 97.159 ± 0.015°
• γ: 90°
• Cell volume: 729.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No