Information card for entry 1576971

Structure parameters

• Formula: C78 H66 Cl6 S6 Si4
• Calculated formula: C78 H66 Cl6 S6 Si4
• 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: 37.2215 ± 0.0017 Å
• b: 16.0807 ± 0.0007 Å
• c: 13.1675 ± 0.0005 Å
• α: 90°
• β: 81.889 ± 0.002°
• γ: 90°
• Cell volume: 7802.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1729
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No