Information card for entry 7003782

Structure parameters

• Common name: Lithium 2,4,6-trimethylphenoxide dioxane
• Formula: C15 H23 Li O4
• Calculated formula: C11 H15 Li O2
• Title of publication: Manipulation of molecular aggregation and supramolecular structure using self-assembled lithium mixed-anion complexes
• Authors of publication: Morris, J. Jacob; MacDougall, Dugald J.; Noll, Bruce C.; Henderson, Kenneth W.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3429 - 3437
• a: 15.2748 ± 0.001 Å
• b: 15.2748 ± 0.001 Å
• c: 24.129 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5629.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.2077
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No