Information card for entry 1576969

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
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 10082 - 10091
• a: 18.3772 ± 0.0006 Å
• b: 8.0425 ± 0.0003 Å
• c: 24.7367 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3656.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No