Information card for entry 4130661

Structure parameters

• Formula: C28 H40 S4 Si4
• Calculated formula: C28 H40 S4 Si4
• SMILES: C[Si](C)(C)c1c2c(cs1)c1c(c3c(scc3c3c2c(sc3)[Si](C)(C)C)[Si](C)(C)C)c(sc1)[Si](C)(C)C
• Title of publication: Thiophene-Based Double Helices: Syntheses, X-ray Structures, and Chiroptical Properties.
• Authors of publication: Zhang, Sheng; Liu, Xinming; Li, Chunli; Li, Lu; Song, Jinsheng; Shi, Jianwu; Morton, Martha; Rajca, Suchada; Rajca, Andrzej; Wang, Hua
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 31
• Pages of publication: 10002 - 10010
• a: 10.918 ± 0.006 Å
• b: 12.793 ± 0.006 Å
• c: 14.3 ± 0.007 Å
• α: 91.596 ± 0.009°
• β: 104.851 ± 0.009°
• γ: 113.229 ± 0.009°
• Cell volume: 1755.3 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1731
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No