Information card for entry 2312523

Structure parameters

• Common name: (±)-Pinenyllithium tetramethylethylenediamine
• Chemical name: (Tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')(η^3^-2,6,6-\ trimethylbicyclo[3.1.1]heptyl)lithium
• Formula: C16 H31 Li N2
• Calculated formula: C16 H31 Li N2
• Title of publication: Preferential crystallization of (±)-pinenyllithium·TMEDA.
• Authors of publication: Erickson, Alexander N.; Haltiwanger, Curtis; Rahim, Masoumeh; Garner, Charles M.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 7
• Pages of publication: 297 - 301
• a: 6.316 ± 0.0002 Å
• b: 9.6925 ± 0.0002 Å
• c: 13.7463 ± 0.0002 Å
• α: 97.336 ± 0.001°
• β: 99.662 ± 0.002°
• γ: 93.52 ± 0.002°
• Cell volume: 819.83 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes