Information card for entry 4130660

Structure parameters

• Formula: C28 H36 I4 S4 Si4
• Calculated formula: C28 H36 I4 S4 Si4
• SMILES: Ic1sc([Si](C)(C)C)c2c3c(c4c(c5c(c12)c(I)sc5[Si](C)(C)C)c(sc4I)[Si](C)(C)C)c(I)sc3[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: 10.775 ± 0.002 Å
• b: 11.514 ± 0.003 Å
• c: 18.195 ± 0.004 Å
• α: 87.775 ± 0.004°
• β: 86.31 ± 0.004°
• γ: 67.205 ± 0.003°
• Cell volume: 2076.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No