Information card for entry 4134241

Structure parameters

• Formula: C42 H34 N4
• Calculated formula: C42 H34 N4
• 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: 19.8661 ± 0.0003 Å
• b: 18.8637 ± 0.0003 Å
• c: 24.5531 ± 0.0004 Å
• α: 90°
• β: 104.684 ± 0.001°
• γ: 90°
• Cell volume: 8900.7 ± 0.2 ų
• Cell temperature: 109.7 ± 0.5 K
• Ambient diffraction temperature: 109.7 ± 0.5 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No