Information card for entry 4345856

Structure parameters

• Formula: C46 H54 Li2 N4 O2
• Calculated formula: C46 H54 Li2 N4 O2
• SMILES: C[O]1CN2[C]34=C(c5ccccc25)C=[N](c2c(cccc2C(C)C)C(C)C)[Li]23[C]35=C(c6ccccc6N5C[O]2C)C=[N](c2c(cccc2C(C)C)C(C)C)[Li]143
• 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: 18.993 ± 0.002 Å
• b: 12.5282 ± 0.0014 Å
• c: 18.014 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4286.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1775
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No