Information card for entry 1574192

Structure parameters

• Formula: C84 H80 Cl6 O4 S2
• Calculated formula: C84 H80 Cl6 O4 S2
• Title of publication: Thiophene-backbone Arcuate Graphene Nanoribbons: Shotgun Synthesis and Length dependent Properties
• Authors of publication: zhang, Ruiying; Chen, Xinyu; Zhu, Ling-Yun; Huang, Yanxia; Zhai, Ziang; wang, Qiang; wang, lingding; wang, Taosong; wang, weizhen; Ye, Ke-Yin; Li, Yuanming
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 25.5478 ± 0.0005 Å
• b: 20.7666 ± 0.0002 Å
• c: 31.3909 ± 0.0005 Å
• α: 90°
• β: 110.188 ± 0.002°
• γ: 90°
• Cell volume: 15631 ± 0.5 ų
• Cell temperature: 100 ± 0.4 K
• Ambient diffraction temperature: 100 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2435
• Weighted residual factors for all reflections included in the refinement: 0.2535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No