Information card for entry 7132962

Structure parameters

• Formula: C30 H22 S
• Calculated formula: C30 H22 S
• 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: 14.9168 ± 0.0003 Å
• b: 5.1215 ± 0.0001 Å
• c: 80.8465 ± 0.0018 Å
• α: 90°
• β: 92.323 ± 0.002°
• γ: 90°
• Cell volume: 6171.3 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.1025
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No