Information card for entry 4134240

Structure parameters

• Formula: C78 H84 Cl2
• Calculated formula: C78 H84 Cl2
• 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: 14.1391 ± 0.0003 Å
• b: 15.2551 ± 0.0004 Å
• c: 15.3506 ± 0.0003 Å
• α: 78.101 ± 0.002°
• β: 71.786 ± 0.002°
• γ: 84.391 ± 0.002°
• Cell volume: 3075.57 ± 0.13 ų
• Cell temperature: 105.4 ± 0.5 K
• Ambient diffraction temperature: 105.4 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No