Information card for entry 2004283

Structure parameters

• Chemical name: 1,1,4,4-Tetraphenyl-1,3-butadiene-lithium-tris(dimethoxyethane)
• Formula: C40 H52 Li O6
• Calculated formula: C40 H52 Li O6
• SMILES: [Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C.C(=CC=C(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Tris(1,2-dimethoxyethane)lithium 1,1,4,4-Tetraphenyl-1,3-butadiene Radical Anion
• Authors of publication: Näther, C.; Bock, H.; Bolte, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2510 - 2514
• a: 12.16 ± 0.005 Å
• b: 12.482 ± 0.005 Å
• c: 14.755 ± 0.005 Å
• α: 68.172 ± 0.005°
• β: 80.307 ± 0.005°
• γ: 61.792 ± 0.005°
• Cell volume: 1832 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections: 0.1289
• Weighted residual factors for significantly intense reflections: 0.1198
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.088
• Diffraction radiation wavelength: 0.7106 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No