Information card for entry 1576973

Structure parameters

• Formula: C28 H16 S
• Calculated formula: C28 H16 S
• 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: 13.7281 ± 0.0002 Å
• b: 8.2413 ± 0.0001 Å
• c: 16.4447 ± 0.0002 Å
• α: 90°
• β: 91.325 ± 0.001°
• γ: 90°
• Cell volume: 1860.01 ± 0.04 ų
• Cell temperature: 295.1 ± 0.3 K
• Ambient diffraction temperature: 295.1 ± 0.3 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No