Information card for entry 4065620

Structure parameters

• Formula: C36 H75 Li3 N6
• Calculated formula: C36 H75 Li3 N6
• SMILES: [Li]12[N](CC)(CC)[C@H]3[C@@H](CCCC3)[N]1(CC)[Li]1[N](CC)(CC)[C@H]3[C@@H](CCCC3)[N]1(CC)[Li]1[N](CC)(CC)[C@H]3[C@@H](CCCC3)[N]12CC
• Title of publication: Lithiation of Diamine Ligands to Chiral Building Blocks: Syntheses, Selectivities, and Lithiated Intermediates
• Authors of publication: Gessner, Viktoria H.; Strohmann, Carsten
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1858
• a: 19.546 ± 0.003 Å
• b: 19.546 ± 0.003 Å
• c: 8.9796 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2971 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No