Information card for entry 1553617

Structure parameters

• Formula: C44 H72 Li4 O4 S4 Si4
• Calculated formula: C44 H72 Li4 O4 S4 Si4
• SMILES: s1[c]234c(cc1[Si](C)(C)C)c1[c]56(sc(c1)[Si](C)(C)C)[Li]1([O]7CCCC7)[c]78(c(cc(s8)[Si](C)(C)C)c8[c]1([Li]27[O]1CCCC1)(sc(c8)[Si](C)(C)C)[Li]46[O]1CCCC1)[Li]35[O]1CCCC1
• Title of publication: Selective deprotonation of tetra[3,4]thienylene in the presence of n-BuLi
• Authors of publication: Li, Lu; Li, Bingbing; Li, Chunli; Ma, Zhiying; Xu, Li; Wang, Hua
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 1019
• a: 20.763 ± 0.003 Å
• b: 20.763 ± 0.003 Å
• c: 13.7545 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5929.6 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2424
• Weighted residual factors for all reflections included in the refinement: 0.2973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No