Information card for entry 4081385

Structure parameters

• Formula: C30 H60 Li4 N8
• Calculated formula: C30 H60 Li4 N8
• SMILES: [Li]123456[n]789[Li]%10([N]1(C[c]18[cH]8[cH]%11[cH]7[Li]7918%11[n]182[Li]2([N]7(C[c]68[cH]5[cH]4[cH]31)C(C)(C)C)[N](CC[N]2(C)C)(C)C)C(C)(C)C)[N](CC[N]%10(C)C)(C)C
• Title of publication: 2-Aminopyrrolyl Dilithium Compounds: Synthesis, Structural Diversity, and Catalytic Activity for Amidation of Aldehydes with Amines
• Authors of publication: Guo, Zhiqiang; Liu, Qiao; Wei, Xuehong; Zhang, Yongbin; Tong, Hongbo; Chao, Jianbin; Guo, Jianping; Liu, Diansheng
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4677
• a: 25.849 ± 0.005 Å
• b: 10.452 ± 0.002 Å
• c: 17.811 ± 0.007 Å
• α: 90°
• β: 128.923 ± 0.003°
• γ: 90°
• Cell volume: 3743.7 ± 1.8 ų
• Cell temperature: 234 ± 2 K
• Ambient diffraction temperature: 234 ± 2 K
• Number of distinct elements: 4
• 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: 0.1403
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2468
• Weighted residual factors for all reflections included in the refinement: 0.3077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No