Information card for entry 4345861

Structure parameters

• Formula: C44 H53 Li N4 O
• Calculated formula: C44 H53 Li N4 O
• SMILES: [Li]1([N](=Cc2c(n(c3c2cccc3)Cc2ccccc2)C2N(c3c(C2=CN1C(C)(C)C)cccc3)Cc1ccccc1)C(C)(C)C)[O](CC)CC
• 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: 11.643 ± 0.004 Å
• b: 16.448 ± 0.005 Å
• c: 20.943 ± 0.006 Å
• α: 90°
• β: 103.469 ± 0.004°
• γ: 90°
• Cell volume: 3900 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1597
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No