Information card for entry 7132961

Structure parameters

• Formula: C34 H34 S2
• Calculated formula: C34 H34 S2
• Title of publication: C-H Arylation of Thiopyran Derivatives with Aryl Halides
• Authors of publication: Su, Yangzhe; Wang, Min; Xu, Jianping; Chen, Weinan; Zhou, Gang
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 37.256 ± 0.006 Å
• b: 37.256 ± 0.006 Å
• c: 5.1212 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6155.9 ± 1.9 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1364
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No