Information card for entry 2313037

Structure parameters

• Chemical name: (2-phenoxyphenyl-κ<i>C</i>^1^)(tetrahydrofuran-κ<i>O</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')lithium
• Formula: C24.5 H39 Li N2 O2
• Calculated formula: C22 H33 Li N2 O2
• Title of publication: Insights into [(2-phen-oxy-phen-yl)lithium(THF)(TMEDA)] and diphenyl ether: structural influence of metalation on the aromatic system.
• Authors of publication: Nuss, Michael; Schrimpf, Tobias; Strohmann, Carsten
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 6
• Pages of publication: 567 - 571
• a: 12.494 ± 0.004 Å
• b: 13.53 ± 0.004 Å
• c: 15.528 ± 0.005 Å
• α: 70.284 ± 0.011°
• β: 87.622 ± 0.01°
• γ: 80.493 ± 0.01°
• Cell volume: 2436.8 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No