Information card for entry 4027905

Structure parameters

• Common name: Fraenkel 1342
• Formula: C22 H48 Li2 N2 O4 Si2
• Calculated formula: C22 H48 Li2 N2 O4 Si2
• SMILES: [Si]1([CH]23[Li]45678[O](CC[N]6(C[Si]([CH]46=[CH]48[CH]=27[Li]27346[O](CC[N]7(C1)CC[O]2C)C)(C)C)CC[O]5C)C)(C)C
• Title of publication: Internally versus Externally Solvated Derivatives of Doubly Bridged 1,4-Dilithio-2-butene: Structures and Dynamic Behavior. A "T" Shaped Dimeric Cluster in the Solid State
• Authors of publication: Gideon Fraenkel; Xiao Chen; Albert Chow; Judith Gallucci
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 1149 - 1156
• a: 9.258 ± 0.001 Å
• b: 16.53 ± 0.002 Å
• c: 19.277 ± 0.002 Å
• α: 87.603 ± 0.004°
• β: 78.804 ± 0.004°
• γ: 85.216 ± 0.006°
• Cell volume: 2882.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No