Information card for entry 1576970

Structure parameters

• Formula: C36 H22 S2
• Calculated formula: C36 H22 S2
• Title of publication: Photochemical Skeletal Editing: One-Step Transformation of Diaryl Dithiophenes into Regiodefined Helicenes
• Authors of publication: Shi, Xiaoli; Mei, Ling; Dong, Chenxi; Zhao, Chunmei; Chen, Chen; Xu, Yimin; Xu, Wan; Li, Chunli; Wang, Guangxia; Ma, Zhiying; Wang, Hua
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 10.3233 ± 0.0007 Å
• b: 14.2924 ± 0.001 Å
• c: 17.4218 ± 0.0012 Å
• α: 90°
• β: 95.611 ± 0.003°
• γ: 90°
• Cell volume: 2558.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No