Information card for entry 7123197

Structure parameters

• Formula: C58 H48 N2 O2
• Calculated formula: C58 H48 N2 O2
• 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: 24.78 ± 0.007 Å
• b: 9.939 ± 0.002 Å
• c: 19.014 ± 0.005 Å
• α: 90°
• β: 115.965 ± 0.003°
• γ: 90°
• Cell volume: 4210.2 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No