Information card for entry 4134248

Structure parameters

• Formula: C85 H69 Cl3 N8
• Calculated formula: C85 H69 Cl3 N8
• Title of publication: Toward the synthesis of a highly strained hydrocarbon belt.
• Authors of publication: Shi, Tan-Hao; Guo, Qing-Hui; Tong, Shuo; Wang, Mei-Xiang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 27.3673 ± 0.0005 Å
• b: 24.3761 ± 0.0005 Å
• c: 25.0658 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16721.6 ± 0.5 ų
• Cell temperature: 112 ± 1 K
• Ambient diffraction temperature: 112 ± 1 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: 0.1526
• Residual factor for significantly intense reflections: 0.1358
• Weighted residual factors for significantly intense reflections: 0.4101
• Weighted residual factors for all reflections included in the refinement: 0.427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.637
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No