Information card for entry 4109716

Structure parameters

• Formula: C26 H58 Li2 N4
• Calculated formula: C26 H58 Li2 N4
• SMILES: [C@H]12[C@@H](CCCC1)[N](C)(C)[Li]1([CH](C)(C)[Li]3([CH]1(C)C)[N]([C@H]1[C@@H](CCCC1)[N]3(C)C)(C)C)[N]2(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: 9.1739 ± 0.0014 Å
• b: 28.015 ± 0.007 Å
• c: 11.8908 ± 0.0019 Å
• α: 90°
• β: 104.154 ± 0.018°
• γ: 90°
• Cell volume: 2963.2 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No