Information card for entry 1576771

Structure parameters

• Formula: C44 H24 S4
• Calculated formula: C44 H24 S4
• Title of publication: Rh(iii)-catalyzed heteroannular-selective heteroarylation of biaryls: facile access to heteroacenes with sulfur-embedded 5-7 ring topology.
• Authors of publication: He, Zhanhui; Yang, Li; Zhou, Menghang; Zhong, Yue; Liu, Zheng; Zhang, Ziao; Xia, Feiyang; Deng, Xuezhe; Yan, Shuang; Xu, Cheng; Zhang, Cheng; Yin, Guodong
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 4594 - 4600
• a: 7.9692 ± 0.0003 Å
• b: 9.1737 ± 0.0003 Å
• c: 11.3045 ± 0.0004 Å
• α: 97.109 ± 0.002°
• β: 101.458 ± 0.002°
• γ: 95.919 ± 0.002°
• Cell volume: 796.78 ± 0.05 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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: 0.0621
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No