Information card for entry 4129879

Structure parameters

• Formula: C44 H84 Cu2 Li4 O4 Si4
• Calculated formula: C44 H84 Cu2 Li4 O4 Si4
• Title of publication: Aromatic Dicupra[10]annulenes.
• Authors of publication: Wei, Junnian; Zhang, Yongliang; Chi, Yue; Liu, Liang; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 1
• Pages of publication: 60 - 63
• a: 12.3581 ± 0.0004 Å
• b: 22.2386 ± 0.0008 Å
• c: 19.3513 ± 0.0007 Å
• α: 90°
• β: 93.795 ± 0.003°
• γ: 90°
• Cell volume: 5306.6 ± 0.3 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 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: 0.0848
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No