Information card for entry 2022991

Structure parameters

• Chemical name: (2-Methylidene-1,2-dihydropyridinium-κ<i>N</i>)tris(tetrahydrofuran-κ<i>O</i>)lithium
• Formula: C18 H30 Li N O3
• Calculated formula: C18 H30 Li N O3
• Title of publication: Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf.
• Authors of publication: Mairath, Tristan; Schmidt, Annika; Strohmann, Carsten
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 1
• Pages of publication: 78 - 82
• a: 9.267 ± 0.003 Å
• b: 13.178 ± 0.004 Å
• c: 15.053 ± 0.005 Å
• α: 90°
• β: 94.437 ± 0.006°
• γ: 90°
• Cell volume: 1832.8 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes