Information card for entry 4516103

Structure parameters

• Formula: C46 H46 Cl6 S8 Si4
• Calculated formula: C46 H46 Cl6 S8 Si4
• SMILES: s1c2c3c(c4c5c6c(scc6c6c3c(sc6)c3sc([Si](C)(C)C)cc3c3cc(sc23)[Si](C)(C)C)c2sc([Si](C)(C)C)cc2c2c(sc([Si](C)(C)C)c2)c5sc4)c1.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: All-Thiophene-Based Double Helix: Synthesis, Crystal Structure, Chiroptical Property and Arylation.
• Authors of publication: Li, Bingbing; Zhang, Sheng; Li, Lu; Ma, Zhiying; Li, Chunli; Xu, Li; Wang, Hua
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 16014 - 16020
• a: 11.9267 ± 0.0015 Å
• b: 15.095 ± 0.002 Å
• c: 17.872 ± 0.002 Å
• α: 108.373 ± 0.002°
• β: 105.652 ± 0.002°
• γ: 101.258 ± 0.002°
• Cell volume: 2798.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No