Information card for entry 4067344

Structure parameters

• Formula: C54 H72 Li4 O2 Si2
• Calculated formula: C54 H72 Li4 O2 Si2
• SMILES: [C]123(=C(C(=[C]45(c6ccccc6)[Li]1([C]16(=C(C(=[C]([Li]24)([Li]51[O]1CCCC1)([Li]36)[Si](C)(C)C)CCCC)c1ccccc1)c1ccccc1)[O]1CCCC1)c1ccccc1)CCCC)[Si](C)(C)C
• Title of publication: Isolation and X-ray Structure of a Trimeric 1,4-Dilithio-1,3-butadiene and a Dimeric Me3Si-Substituted 1,4-Dilithio-1,3-butadiene
• Authors of publication: Liu, Lantao; Zhang, Wen-Xiong; Luo, Qian; Li, Heng; Xi, Zhenfeng
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 278
• a: 26.694 ± 0.005 Å
• b: 11.166 ± 0.002 Å
• c: 20.498 ± 0.004 Å
• α: 90°
• β: 121.3 ± 0.03°
• γ: 90°
• Cell volume: 5221 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No