Information card for entry 4113252

Structure parameters

• Formula: C26 H42 Li2 N4
• Calculated formula: C26 H42 Li2 N4
• SMILES: [Li]123[C]4(=C(C=CC=C4)[C@H]([N]1(CC[N]2(C)C)C)C)[Li]12[N]([C@@H](C4=CC=CC=[C]314)C)(CC[N]2(C)C)C
• 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: 9.6895 ± 0.0001 Å
• b: 17.262 ± 0.0002 Å
• c: 16.2017 ± 0.0002 Å
• α: 90°
• β: 94.7843 ± 0.0005°
• γ: 90°
• Cell volume: 2700.46 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No