Information card for entry 7226285

Structure parameters

• Common name: (TTN3)(C70)
• Chemical name: (TTN3)(C70)
• Formula: C84 H12 S6
• Calculated formula: C84 H12 S6
• 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: 10.158 ± 0.0009 Å
• b: 12.698 ± 0.0009 Å
• c: 19.16 ± 0.0013 Å
• α: 93.18°
• β: 99.488 ± 0.012°
• γ: 104.98°
• Cell volume: 2342.2 ± 0.3 ų
• Cell temperature: 77 ± 1 K
• Ambient diffraction temperature: 77 ± 1 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: 0.0702
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.2102
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.95382 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No