Information card for entry 4345860

Structure parameters

• Formula: C44 H51 Li N4 O
• Calculated formula: C44 H51 Li N4 O
• SMILES: C12C(=CN(C(C)(C)C)[Li]([N](=Cc3c1n(c1c3cccc1)Cc1ccccc1)C(C)(C)C)[O]1CCCC1)c1ccccc1N2Cc1ccccc1
• Title of publication: Reactivity of 1,3-Disubstituted Indoles with Lithium Compounds: Substituents and Solvents Effects on Coordination and Reactivity of Resulting 1,3-Disubstituted-2-Indolyl Lithium Complexes
• Authors of publication: Guo, Liping; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Mu, Xiaolong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 17.746 ± 0.002 Å
• b: 16.299 ± 0.002 Å
• c: 27.596 ± 0.003 Å
• α: 90°
• β: 102.391 ± 0.002°
• γ: 90°
• Cell volume: 7796 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1612
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No