Information card for entry 7226279

Structure parameters

• Common name: TTN6
• Chemical name: TTN6
• Formula: C14 H10 S5
• Calculated formula: C14 H10 S5
• SMILES: S1c2c(SC3=C1Sc1c(S3)cccc1)c(sc2C)C
• 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: 7.4061 ± 0.0009 Å
• b: 7.7951 ± 0.0009 Å
• c: 12.6647 ± 0.0011 Å
• α: 83.801 ± 0.008°
• β: 83.45 ± 0.009°
• γ: 77.253 ± 0.01°
• Cell volume: 705.88 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0673
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No