Information card for entry 4314054

Structure parameters

• Common name: K4(DPE)4(THF)4
• Formula: C72 H84 K4 O8
• Calculated formula: C72 H84 K4 O8
• SMILES: [K]12([O]3(C(C)(c4ccccc4)c4ccccc4)[K]4([O]2([K]2([O]1(C(C)(c1ccccc1)c1ccccc1)[K]3([O]42C(C)(c1ccccc1)c1ccccc1)[O]1CCCC1)[O]1CCCC1)C(C)(c1ccccc1)c1ccccc1)[O]1CCCC1)[O]1CCCC1
• Title of publication: Structural Variations of Potassium Aryloxides
• Authors of publication: Timothy J. Boyle; Nicholas L. Andrews; Mark A. Rodriguez; Charles Campana; Timothy Yiu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5357 - 5366
• a: 18.178 ± 0.003 Å
• b: 19.511 ± 0.003 Å
• c: 19.055 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6758.3 ± 1.9 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No