Information card for entry 7123202

Structure parameters

• Formula: C33 H26 O2 S2
• Calculated formula: C30 H26 O2 S2
• Title of publication: Metal-free construction of contiguous quaternary stereocentres with polycyclic framework
• Authors of publication: Lin, Wei-Bin; Mou, Yong; Lu, Hai-Yan; Hu, Zhi-Qiang; Chen, Chuan-Feng
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 19.288 ± 0.004 Å
• b: 18.96 ± 0.004 Å
• c: 14.565 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5326.4 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No