Information card for entry 4109715

Structure parameters

• Formula: C22 H50 Li2 N4
• Calculated formula: C22 H50 Li2 N4
• SMILES: [CH3]1[Li]2([CH3][Li]31[N]([C@H]1[C@@H](CCCC1)[N]3(C)C)(C)C)[N]([C@H]1[C@@H](CCCC1)[N]2(C)C)(C)C
• Title of publication: Crystal Structures of the Chiral Diamine (R,R)-TMCDA with the Commonly Used Alkyllithium Bases Methyllithium, iso-Propyllithium, and sec-Butyllithium
• Authors of publication: Carsten Strohmann; Viktoria H. Gessner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8952 - 8953
• a: 8.4588 ± 0.0017 Å
• b: 14.389 ± 0.003 Å
• c: 21.438 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2609.3 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No