Information card for entry 7158700

Structure parameters

• Formula: C64 H96 Li8 N4 O12
• Calculated formula: C64 H96 Li8 N4 O12
• Title of publication: A facile approach to C-functionalized β-ketoimine compounds via terminal alkylation of a tetralithiated intermediate
• Authors of publication: Zhou, Shuai; Xu, Xiaojuan; Zhu, Xu; Zheng, Yu; Chen, Sufang; Xue, Mingqiang
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 9.4644 ± 0.0005 Å
• b: 12.0676 ± 0.0007 Å
• c: 15.1154 ± 0.0008 Å
• α: 88.701 ± 0.002°
• β: 78.029 ± 0.002°
• γ: 82.275 ± 0.002°
• Cell volume: 1673.47 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.02 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No