Information card for entry 4133783

Structure parameters

• Formula: C61 H100 K N4 O8 Sc
• Calculated formula: C61 H100 K N4 O8 Sc
• Title of publication: Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.
• Authors of publication: Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 51
• Pages of publication: 20547 - 20555
• a: 16.1534 ± 0.0003 Å
• b: 21.9933 ± 0.0005 Å
• c: 18.0185 ± 0.0004 Å
• α: 90°
• β: 93.986 ± 0.002°
• γ: 90°
• Cell volume: 6385.9 ± 0.2 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 179.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No