Information card for entry 4065619

Structure parameters

• Formula: C18 H39 Li N2
• Calculated formula: C18 H39 Li N2
• SMILES: CC[N]1(CC)[C@@H]2CCCC[C@H]2[N](CC)(CC)[Li]1C(C)(C)C
• 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: 14.264 ± 0.0009 Å
• b: 16.541 ± 0.0009 Å
• c: 16.7437 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3950.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No