Information card for entry 1576772

Structure parameters

• Formula: C22 H12 S
• Calculated formula: C22 H12 S
• 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: 4.7483 ± 0.0002 Å
• b: 15.0591 ± 0.0005 Å
• c: 20.181 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1443.04 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No