Information card for entry 4134245

Structure parameters

• Formula: C72 H72
• Calculated formula: C72 H72
• 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: 14.5216 ± 0.0003 Å
• b: 15.2767 ± 0.0003 Å
• c: 17.1544 ± 0.0002 Å
• α: 75.021 ± 0.002°
• β: 88.603 ± 0.001°
• γ: 65.324 ± 0.002°
• Cell volume: 3325.4 ± 0.12 ų
• Cell temperature: 99.98 ± 0.16 K
• Ambient diffraction temperature: 99.98 ± 0.16 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No