Information card for entry 7119320

Structure parameters

• Formula: C62 H54 S2
• Calculated formula: C62 H54 S2
• Title of publication: Diacenaphthylene-fused benzo[1,2-b:4,5-b']dithiophenes: polycyclic heteroacenes containing full-carbon five-membered aromatic rings.
• Authors of publication: Wu, Hongzhuo; Fang, Renren; Tao, Jingwei; Wang, Deliang; Qiao, Xiaolan; Yang, Xiaodi; Hartl, František; Li, Hongxiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 751 - 754
• a: 41.379 ± 0.008 Å
• b: 6.0824 ± 0.0012 Å
• c: 20.059 ± 0.004 Å
• α: 90°
• β: 106.27 ± 0.03°
• γ: 90°
• Cell volume: 4846.3 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No