Information card for entry 7103255

Structure parameters

• Formula: C29 H69 Li3 N4
• Calculated formula: C29 H69 Li3 N4
• SMILES: CC[N]1(CC)CC[N](CC)(CC)[Li]21[CH](C)(C)[Li]([CH]2(C)C)[CH](C)(C)[Li]2[N](CC)(CC)CC[N]2(CC)CC
• Title of publication: Isopropyllithium diamine adducts: from a non symmetric aggregate to monomeric i-PrLi.(1R,2R)-N,N,N',N'-tetraethylcyclohexane-1,2-diamine.
• Authors of publication: Strohmann, Carsten; Gessner, Viktoria H; Damme, A
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 29
• Pages of publication: 3381 - 3383
• a: 9.986 ± 0.004 Å
• b: 15.741 ± 0.006 Å
• c: 21.549 ± 0.009 Å
• α: 90°
• β: 95.459 ± 0.007°
• γ: 90°
• Cell volume: 3372 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No