Information card for entry 4130659

Structure parameters

• Formula: C56 H82 O3 S8 Si8
• Calculated formula: C56 H76 O3 S8 Si8
• SMILES: [Si](C)(C)(C)c1c2c3c(c4c5c(c([Si](C)(C)C)s4)c4c(csc4[Si](C)(C)C)c4c(c6c5c(c5c3c(c3c([Si](C)(C)C)scc3c3c2c([Si](C)(C)C)sc3)c([Si](C)(C)C)s5)sc6[Si](C)(C)C)c([Si](C)(C)C)sc4)s1.O.O.O
• 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: 55.402 ± 0.009 Å
• b: 18.757 ± 0.003 Å
• c: 14.45 ± 0.003 Å
• α: 90°
• β: 102.502 ± 0.003°
• γ: 90°
• Cell volume: 14660 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1184
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No