Information card for entry 4130662

Structure parameters

• Formula: C86 H114 Cl8 S12 Si12
• Calculated formula: C86 H114 Cl8 S12 Si12
• 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: 10.434 ± 0.009 Å
• b: 15.47 ± 0.013 Å
• c: 20.322 ± 0.017 Å
• α: 89.347 ± 0.018°
• β: 83.228 ± 0.017°
• γ: 75.451 ± 0.016°
• Cell volume: 3152 ± 5 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: 0.2079
• Residual factor for significantly intense reflections: 0.0944
• Weighted residual factors for significantly intense reflections: 0.1803
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No