Information card for entry 4113251

Structure parameters

• Formula: C30 H50 Li2 N4
• Calculated formula: C30 H50 Li2 N4
• SMILES: [Li]123[N](Cc4[c]2(cccc4)[Li]24[N](Cc5cccc[c]345)(CC[N]2(CC)CC)CC)(CC[N]1(CC)CC)CC
• Title of publication: Diastereoselective Self-Assembly of Chiral Diamine-Chelated Aryllithiums to Dimeric Aggregates
• Authors of publication: Anne M. Arink; Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Martin Lutz; Anthony L. Spek; Robert A. Gossage; Gerard van Koten
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 16249 - 16258
• a: 9.9986 ± 0.0001 Å
• b: 11.8266 ± 0.0001 Å
• c: 13.6183 ± 0.0002 Å
• α: 90°
• β: 113.437 ± 0.0005°
• γ: 90°
• Cell volume: 1477.5 ± 0.03 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No