Information card for entry 4081167

Structure parameters

• Formula: C40 H72 Li4 O4
• Calculated formula: C40 H72 Li4 O4
• SMILES: [O]1(CCCC1)[Li]1234[CH]56=[C]71([C]12(=[CH]23[Li]571([O]1CCCC1)[CH]13=[C]57([C]89(=[CH]4([Li]6158[O]1CCCC1)[Li]2379[O]1CCCC1)CCCC)CCCC)CCCC)CCCC
• Title of publication: 3-D Brick-Wall Polymeric Structure of TMEDA-Supported 1,4-Dilithio-1,3-Butadiene
• Authors of publication: Zhang, Shaoguang; Zhan, Ming; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 4020
• a: 25.138 ± 0.009 Å
• b: 8.419 ± 0.003 Å
• c: 20.378 ± 0.007 Å
• α: 90°
• β: 97.56 ± 0.006°
• γ: 90°
• Cell volume: 4275 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1589
• Residual factor for significantly intense reflections: 0.1168
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.2453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No