Information card for entry 4134244

Structure parameters

• Formula: C48 H60
• Calculated formula: C48 H56
• SMILES: c1c2ccc(c1[C@H](CC)c1ccc(c(c1)[C@H](CC)c1ccc(c(c1)[C@H](CC)c1cc(c(cc1)C(=C)C)[C@@H]2CC)C(=C)C)C(=C)C)C(=C)C.c1c2ccc(c1[C@@H](CC)c1ccc(c(c1)[C@@H](CC)c1ccc(c(c1)[C@@H](CC)c1cc(c(cc1)C(=C)C)[C@H]2CC)C(=C)C)C(=C)C)C(=C)C
• 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: 11.7332 ± 0.0003 Å
• b: 12.2075 ± 0.0004 Å
• c: 16.3902 ± 0.0005 Å
• α: 72.612 ± 0.003°
• β: 88.798 ± 0.002°
• γ: 61.9 ± 0.003°
• Cell volume: 1956.16 ± 0.12 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 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: 0.0643
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No