Information card for entry 4108610

Structure parameters

• Formula: C24 H60 Li4 N8
• Calculated formula: C24 H60 Li4 N8
• SMILES: [Li]123[N](C)(C)CC[N]1(C)[CH2]2[Li]12[N](C)(C)CC[N]1(C)[CH2]2[Li]12[N](C)(C)CC[N]1(C)[CH2]2[Li]12[N](C)(C)CC[N]1(C)[CH2]23
• 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: 19.851 ± 0.006 Å
• b: 19.851 Å
• c: 8.639 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3404.3 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No