Information card for entry 4134251

Structure parameters

• Formula: C49 H59.8 Cl0.2 O0.9
• Calculated formula: C49 H59.8446 Cl0.1554 O0.9482
• 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: 10.602 ± 0.003 Å
• b: 12.553 ± 0.003 Å
• c: 16.667 ± 0.004 Å
• α: 100.365 ± 0.003°
• β: 98.374 ± 0.002°
• γ: 111.432 ± 0.002°
• Cell volume: 1976.2 ± 0.9 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No