Information card for entry 4108611

Structure parameters

• Formula: C32 H76 Li4 N8
• Calculated formula: C32 H76 Li4 N8
• SMILES: C(C)[N]1(CC)CC[N]23(CC)[Li]41[N](CC)(CC)CC[N]4(CC)[Li]2[N]12(CC)[Li]3[N]3(CC)[Li]2([N](CC)(CC)CC3)[N](CC)(CC)CC1
• Title of publication: Lithiation of TMEDA and its Higher Homologous TEEDA: Understanding Observed α- and β-Deprotonation
• Authors of publication: Viktoria H. Gessner; Carsten Strohmann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 14412 - 14413
• a: 9.0546 ± 0.0018 Å
• b: 14.205 ± 0.003 Å
• c: 17.048 ± 0.004 Å
• α: 107.979 ± 0.005°
• β: 97.871 ± 0.005°
• γ: 102.869 ± 0.006°
• Cell volume: 1982.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No